Crystal structure of (E)-2-[(2-bromopyridin-3-yl)methyl­idene]-6-meth­oxy-3,4-di­hydro­naphthalen-1(2H)-one and 3-[(E)-(6-meth­oxy-1-oxo-1,2,3,4-tetra­hydro­naphthalen-2-ylidene)meth­yl]pyridin-2(1H)-one

. 2016 Jun 14;72(Pt 7):955–958. doi: 10.1107/S2056989016009300

O1A—C1A	1.258 (3)	C11B—C12B	1.480 (3)
O1B—C1B	1.257 (3)	C11B—C16B	1.405 (3)
O2A—C12A	1.233 (3)	C13A—C14A	1.385 (3)
O2B—C12B	1.233 (3)	C13B—C14B	1.388 (3)
O3A—C14A	1.360 (3)	C14A—C15A	1.400 (4)
O3A—C17A	1.436 (4)	C14B—C15B	1.395 (4)
O3B—C14B	1.360 (3)	C15A—C16A	1.374 (4)
O3B—C17B	1.434 (4)	C15B—C16B	1.369 (4)
N1A—C1A	1.375 (3)	N1A—H1A	0.96 (3)
N1A—C2A	1.360 (4)	N1B—H1B	0.98 (3)
N1B—C1B	1.373 (3)	C2A—H2A	0.950
N1B—C2B	1.366 (4)	C2B—H2B	0.950
C1A—C5A	1.451 (3)	C3A—H3A	0.950
C1B—C5B	1.459 (3)	C3B—H3B	0.950
C2A—C3A	1.354 (4)	C4A—H4A	0.950
C2B—C3B	1.351 (4)	C4B—H4B	0.950
C3A—C4A	1.404 (3)	C6A—H6A	0.950
C3B—C4B	1.406 (4)	C6B—H6B	0.950
C4A—C5A	1.380 (4)	C8A—H8A1	0.990
C4B—C5B	1.381 (4)	C8A—H8A2	0.990
C5A—C6A	1.463 (3)	C8B—H8B1	0.990
C5B—C6B	1.462 (3)	C8B—H8B2	0.990
C6A—C7A	1.349 (3)	C9A—H9A1	0.990
C6B—C7B	1.347 (3)	C9A—H9A2	0.990
C7A—C8A	1.514 (4)	C9B—H9B1	0.990
C7A—C12A	1.496 (3)	C9B—H9B2	0.990
C7B—C8B	1.513 (4)	C13A—H13A	0.950
C7B—C12B	1.497 (3)	C13B—H13B	0.950
C8A—C9A	1.527 (4)	C15A—H15A	0.950
C8B—C9B	1.525 (4)	C15B—H15B	0.950
C9A—C10A	1.504 (3)	C16A—H16A	0.950
C9B—C10B	1.503 (3)	C16B—H16B	0.950
C10A—C11A	1.397 (4)	C17A—H17A	0.980
C10A—C13A	1.398 (3)	C17A—H17B	0.980
C10B—C11B	1.399 (4)	C17A—H17C	0.980
C10B—C13B	1.400 (3)	C17B—H17D	0.980
C11A—C12A	1.482 (3)	C17B—H17E	0.980
C11A—C16A	1.402 (4)	C17B—H17F	0.980

O1A···C2A	3.542 (4)	C11A···H3B^vii	3.4817
O1A···C6A	2.812 (4)	C11A···H4B^vii	3.1490
O1B···C2B	3.542 (4)	C11B···H2Aⁱ	3.5524
O1B···C6B	2.821 (4)	C11B···H3A^v	3.5010
O2A···C6A	2.754 (4)	C11B···H4A^v	3.1694
O2A···C16A	2.792 (4)	C12A···H3B^vii	3.1055
O2B···C6B	2.750 (4)	C12A···H17D^v	3.0137
O2B···C16B	2.798 (4)	C12A···H17F^v	3.4151
O3B···C16B	3.599 (4)	C12B···H3A^v	3.2054
N1A···C4A	2.710 (4)	C12B···H17A^vii	3.0581
N1B···C4B	2.721 (4)	C12B···H17C^vii	3.4482
C1A···C3A	2.819 (4)	C13A···H1Bⁱⁱⁱ	3.28 (4)
C1B···C3B	2.829 (4)	C13A···H4B^vii	3.5271
C2A···C5A	2.790 (4)	C13A···H9A1^xi	3.2812
C2B···C5B	2.782 (4)	C13A···H9A2^xi	3.4733
C4A···C7A	3.177 (4)	C13B···H1Aⁱ	3.25 (3)
C4A···C8A	3.193 (4)	C13B···H4A^v	3.5120
C4B···C7B	3.167 (4)	C13B···H9B1^v	3.2984
C4B···C8B	3.187 (5)	C13B···H9B2^v	3.5161
C5A···C8A	3.201 (4)	C14A···H2A^viii	3.3823
C5B···C8B	3.198 (4)	C14A···H4B^vii	3.5794
C7A···C10A	2.926 (4)	C14A···H8B2^vii	3.2033
C7B···C10B	2.932 (4)	C14B···H2B^ix	3.3802
C8A···C11A	2.887 (4)	C14B···H4A^v	3.5312
C8B···C11B	2.886 (4)	C14B···H8A2^v	3.1403
C9A···C12A	2.938 (5)	C15A···H2A^viii	3.5133
C9B···C12B	2.932 (5)	C15A···H4B^vii	3.4446
C10A···C15A	2.786 (4)	C15A···H8B2^vii	3.0027
C10B···C15B	2.782 (4)	C15A···H17E^viii	3.3979
C11A···C14A	2.788 (4)	C15A···H17F^viii	3.2020
C11B···C14B	2.791 (4)	C15B···H2B^ix	3.5065
C13A···C16A	2.781 (5)	C15B···H4A^v	3.3787
C13A···C17A	2.823 (4)	C15B···H8A2^v	2.9149
C13B···C16B	2.783 (5)	C15B···H17B^xii	3.2749
C13B···C17B	2.819 (4)	C15B···H17C^xii	3.2706
O1A···O1Aⁱ	3.540 (4)	C16A···H3B	3.2475
O1A···O3Bⁱ	3.528 (4)	C16A···H4B^vii	3.2293
O1A···N1Aⁱ	2.778 (3)	C16A···H17F^viii	3.3113
O1A···C9B	3.366 (4)	C16B···H3A^iv	3.2754
O1A···C17Bⁱ	3.316 (5)	C16B···H4A^v	3.1988
O1B···O1Bⁱⁱ	3.556 (4)	C16B···H17C^xii	3.2954
O1B···O3Aⁱⁱⁱ	3.530 (4)	C17A···H2A^viii	3.1643
O1B···N1Bⁱⁱ	2.778 (3)	C17A···H8A1^xi	3.2466
O1B···C9A^iv	3.395 (4)	C17A···H15B^xiii	2.9788
O1B···C17Aⁱⁱⁱ	3.343 (5)	C17A···H16B^xiii	3.5415
O2A···C3B	3.431 (4)	C17B···H2B^ix	3.1756
O2A···C4B	3.262 (5)	C17B···H8B1^v	3.2548
O2A···C17B^v	3.282 (5)	C17B···H15A^ix	2.9481
O2B···O2B^vi	3.519 (4)	H1A···O1Aⁱ	1.82 (3)
O2B···C3A^iv	3.391 (4)	H1A···N1Aⁱ	2.93 (3)
O2B···C4A^iv	3.263 (5)	H1A···C1Aⁱ	2.71 (3)
O2B···C16B^vi	3.490 (5)	H1A···C10Bⁱ	3.36 (3)
O2B···C17A^vii	3.300 (5)	H1A···C13Bⁱ	3.25 (3)
O3A···O1Bⁱⁱⁱ	3.530 (4)	H1A···H1Aⁱ	2.42 (4)
O3A···C2A^viii	3.269 (4)	H1A···H8B2ⁱ	3.5253
O3B···O1Aⁱ	3.528 (4)	H1A···H9B1ⁱ	3.5001
O3B···C2B^ix	3.277 (4)	H1A···H9B2^v	3.4543
O3B···C7A^v	3.522 (5)	H1A···H13B	3.2363
O3B···C12A^v	3.586 (4)	H1A···H13Bⁱ	3.3392
N1A···O1Aⁱ	2.778 (3)	H1A···H17E	2.8349
N1A···C13Bⁱ	3.411 (5)	H1B···O1Bⁱⁱ	1.80 (3)
N1A···C14Bⁱ	3.554 (5)	H1B···N1Bⁱⁱ	2.92 (3)
N1B···O1Bⁱⁱ	2.778 (3)	H1B···C1Bⁱⁱ	2.70 (3)
N1B···C13Aⁱⁱⁱ	3.430 (5)	H1B···C10Aⁱⁱⁱ	3.36 (3)
N1B···C14Aⁱⁱⁱ	3.584 (5)	H1B···C13Aⁱⁱⁱ	3.28 (4)
C1A···C14Bⁱ	3.494 (5)	H1B···H1Bⁱⁱ	2.42 (4)
C1B···C14Aⁱⁱⁱ	3.473 (5)	H1B···H8A2ⁱⁱⁱ	3.4722
C2A···O3A^ix	3.269 (4)	H1B···H9A1ⁱⁱⁱ	3.4644
C2B···O3B^viii	3.277 (4)	H1B···H9A2^vii	3.4365
C3A···O2B^x	3.391 (4)	H1B···H13A^iv	3.2562
C3B···O2A	3.431 (4)	H1B···H13Aⁱⁱⁱ	3.3828
C3B···C12A^vii	3.537 (5)	H1B···H15B^viii	3.5086
C4A···O2B^x	3.263 (5)	H1B···H17B^iv	2.9558
C4A···C10B^v	3.345 (5)	H2A···O1Aⁱ	3.5344
C4A···C11B^v	3.461 (5)	H2A···O3A^ix	2.3436
C4B···O2A	3.262 (5)	H2A···C11Bⁱ	3.5524
C4B···C10A^vii	3.331 (5)	H2A···C14A^ix	3.3823
C4B···C11A^vii	3.440 (5)	H2A···C15A^ix	3.5133
C7A···O3B^v	3.522 (5)	H2A···C17A^ix	3.1643
C9A···O1B^x	3.395 (4)	H2A···H8B2ⁱ	3.4372
C9B···O1A	3.366 (4)	H2A···H9B2^v	3.3194
C10A···C4B^vii	3.331 (5)	H2A···H15A^ix	2.9548
C10B···C4A^v	3.345 (5)	H2A···H17C^ix	2.9064
C11A···C4B^vii	3.440 (5)	H2A···H17E	3.5542
C11B···C4A^v	3.461 (5)	H2B···O1Bⁱⁱ	3.5356
C12A···O3B^v	3.586 (4)	H2B···O3B^viii	2.3441
C12A···C3B^vii	3.537 (5)	H2B···C14B^viii	3.3802
C12A···C17B^v	3.493 (5)	H2B···C15B^viii	3.5065
C12B···C17A^vii	3.543 (5)	H2B···C17B^viii	3.1756
C13A···N1Bⁱⁱⁱ	3.430 (5)	H2B···H8A2ⁱⁱⁱ	3.4956
C13B···N1Aⁱ	3.411 (5)	H2B···H9A2^vii	3.3172
C14A···N1Bⁱⁱⁱ	3.584 (5)	H2B···H15B^viii	2.9363
C14A···C1Bⁱⁱⁱ	3.473 (5)	H2B···H17F^viii	2.9233
C14B···N1Aⁱ	3.554 (5)	H3A···O2B^x	2.8622
C14B···C1Aⁱ	3.494 (5)	H3A···O2B^v	3.4629
C16B···O2B^vi	3.490 (5)	H3A···C7B^v	3.5482
C17A···O1Bⁱⁱⁱ	3.343 (5)	H3A···C11B^v	3.5010
C17A···O2B^vii	3.300 (5)	H3A···C12B^v	3.2054
C17A···C12B^vii	3.543 (5)	H3A···C16B^x	3.2754
C17B···O1Aⁱ	3.316 (5)	H3A···H9B2^v	3.3943
C17B···O2A^v	3.282 (5)	H3A···H16B^x	2.3352
C17B···C12A^v	3.493 (5)	H3A···H17C^ix	3.0415
O1A···H1A	2.43 (3)	H3B···O2A	2.9423
O1A···H6A	2.4489	H3B···O2A^vii	3.3296
O1B···H1B	2.45 (3)	H3B···C7A^vii	3.4330
O1B···H6B	2.4642	H3B···C11A^vii	3.4817
O2A···H6A	2.3405	H3B···C12A^vii	3.1055
O2A···H16A	2.4985	H3B···C16A	3.2475
O2B···H6B	2.3395	H3B···H9A2^vii	3.3936
O2B···H16B	2.5041	H3B···H16A	2.3163
O3A···H13A	2.6507	H3B···H17F^viii	3.1267
O3A···H15A	2.4872	H4A···O2B^x	2.5858
O3B···H13B	2.6483	H4A···C10B^v	3.3216
O3B···H15B	2.4886	H4A···C11B^v	3.1694
N1A···H3A	3.2111	H4A···C13B^v	3.5120
N1B···H3B	3.2243	H4A···C14B^v	3.5312
C1A···H2A	3.2667	H4A···C15B^v	3.3787
C1A···H4A	3.2935	H4A···C16B^v	3.1988
C1A···H6A	2.5404	H4A···H17A^xi	3.3142
C1B···H2B	3.2618	H4B···O2A	2.5865
C1B···H4B	3.3034	H4B···C10A^vii	3.3067
C1B···H6B	2.5497	H4B···C11A^vii	3.1490
C2A···H4A	3.2254	H4B···C13A^vii	3.5271
C2B···H4B	3.2206	H4B···C14A^vii	3.5794
C3A···H1A	3.21 (3)	H4B···C15A^vii	3.4446
C3B···H1B	3.23 (3)	H4B···C16A^vii	3.2293
C4A···H2A	3.2394	H4B···H17D^v	3.4945
C4A···H6A	3.3079	H6A···C8B	3.2615
C4A···H8A1	2.5782	H6A···C9B	3.4562
C4A···H8A2	3.3840	H6A···H8B1	3.0246
C4B···H2B	3.2327	H6A···H8B2	2.8674
C4B···H6B	3.3041	H6A···H9B1	2.7650
C4B···H8B1	2.5740	H6A···H17D^v	2.9212
C4B···H8B2	3.3796	H6B···C8A^iv	3.2921
C5A···H1A	3.26 (3)	H6B···C9A^iv	3.5559
C5A···H3A	3.2879	H6B···H8A1^iv	3.0467
C5A···H8A1	2.8540	H6B···H8A2^iv	2.8645
C5A···H8A2	3.5979	H6B···H9A1^iv	2.8936
C5B···H1B	3.29 (3)	H6B···H15B^vi	3.5873
C5B···H3B	3.2916	H6B···H16B^vi	3.5601
C5B···H8B1	2.8515	H6B···H17A^vii	2.9790
C5B···H8B2	3.5983	H8A1···O2B^x	3.1964
C6A···H4A	2.7250	H8A1···C17A^xi	3.2466
C6A···H8A1	2.6674	H8A1···H6B^x	3.0467
C6A···H8A2	3.0367	H8A1···H13A^xi	3.4374
C6B···H4B	2.7201	H8A1···H17A^xi	2.4631
C6B···H8B1	2.6704	H8A1···H17B^xi	3.3408
C6B···H8B2	3.0366	H8A1···H17C^xi	3.5252
C7A···H4A	2.9547	H8A2···O1B^x	2.9375
C7A···H9A1	3.3699	H8A2···O3B^v	3.2070
C7A···H9A2	2.8359	H8A2···C14B^v	3.1403
C7B···H4B	2.9446	H8A2···C15B^v	2.9149
C7B···H9B1	3.3674	H8A2···H1Bⁱⁱⁱ	3.4722
C7B···H9B2	2.8279	H8A2···H2Bⁱⁱⁱ	3.4956
C8A···H4A	2.5955	H8A2···H6B^x	2.8645
C8A···H6A	3.3662	H8A2···H15B^v	2.7849
C8B···H4B	2.5908	H8B1···O2A	3.0557
C8B···H6B	3.3663	H8B1···C17B^v	3.2548
C9A···H13A	2.6607	H8B1···H6A	3.0246
C9B···H13B	2.6681	H8B1···H17D^v	2.4760
C10A···H8A1	3.3531	H8B1···H17E^v	3.3942
C10A···H8A2	2.8177	H8B1···H17F^v	3.4716
C10A···H16A	3.2727	H8B2···O1A	2.9740
C10B···H8B1	3.3536	H8B2···O3A^vii	3.2863
C10B···H8B2	2.8138	H8B2···C14A^vii	3.2033
C10B···H16B	3.2734	H8B2···C15A^vii	3.0027
C11A···H8A2	3.1634	H8B2···H1Aⁱ	3.5253
C11A···H9A1	3.2766	H8B2···H2Aⁱ	3.4372
C11A···H9A2	2.9629	H8B2···H6A	2.8674
C11A···H13A	3.2772	H8B2···H15A^vii	2.9180
C11A···H15A	3.2692	H9A1···O1B^x	2.7271
C11B···H8B2	3.1615	H9A1···C1B^x	2.9439
C11B···H9B1	3.2767	H9A1···C5B^x	3.2986
C11B···H9B2	2.9529	H9A1···C6B^x	3.3610
C11B···H13B	3.2834	H9A1···C9A^xi	3.3310
C11B···H15B	3.2680	H9A1···C13A^xi	3.2812
C12A···H6A	2.4573	H9A1···H1Bⁱⁱⁱ	3.4644
C12A···H8A1	3.3660	H9A1···H6B^x	2.8936
C12A···H8A2	2.9520	H9A1···H9A1^xi	2.9166
C12A···H9A2	3.2682	H9A1···H9A2^xi	2.9945
C12A···H16A	2.6312	H9A1···H13A^xi	2.5694
C12B···H6B	2.4593	H9A1···H17A^xi	3.2732
C12B···H8B1	3.3639	H9A2···N1B^vii	2.9853
C12B···H8B2	2.9405	H9A2···C1B^vii	3.2133
C12B···H9B2	3.2609	H9A2···C2B^vii	2.8657
C12B···H16B	2.6379	H9A2···C3B^vii	2.9221
C13A···H9A1	2.6018	H9A2···C4B^vii	3.1002
C13A···H9A2	2.9143	H9A2···C5B^vii	3.2826
C13A···H15A	3.2690	H9A2···C13A^xi	3.4733
C13A···H17A	2.6943	H9A2···H1B^vii	3.4365
C13A···H17B	2.8283	H9A2···H2B^vii	3.3172
C13B···H9B1	2.6015	H9A2···H3B^vii	3.3936
C13B···H9B2	2.9233	H9A2···H9A1^xi	2.9945
C13B···H15B	3.2673	H9A2···H13A^xi	2.5567
C13B···H17D	2.7230	H9A2···H17A^xi	3.2760
C13B···H17E	2.7890	H9A2···H17B^xi	3.4983
C14A···H16A	3.2596	H9B1···O1A	2.6898
C14A···H17A	2.6029	H9B1···C1A	2.9602
C14A···H17B	2.6673	H9B1···C5A	3.2785
C14A···H17C	3.2037	H9B1···C6A	3.2624
C14B···H16B	3.2545	H9B1···C9B^v	3.5565
C14B···H17D	2.6222	H9B1···C13B^v	3.2984
C14B···H17E	2.6492	H9B1···H1Aⁱ	3.5001
C14B···H17F	3.2050	H9B1···H6A	2.7650
C15A···H13A	3.2711	H9B1···H9B1^v	3.1392
C15B···H13B	3.2702	H9B1···H9B2^v	3.2489
C17A···H13A	2.5215	H9B1···H13B^v	2.5684
C17B···H13B	2.5167	H9B1···H17D^v	3.0913
H1A···H2A	2.2992	H9B2···N1A^v	3.0336
H1B···H2B	2.2974	H9B2···C1A^v	3.2985
H2A···H3A	2.3127	H9B2···C2A^v	2.8904
H2B···H3B	2.3064	H9B2···C3A^v	2.9447
H3A···H4A	2.3474	H9B2···C4A^v	3.1532
H3B···H4B	2.3525	H9B2···C5A^v	3.3625
H4A···H8A1	1.9890	H9B2···C13B^v	3.5161
H4A···H8A2	2.6223	H9B2···H1A^v	3.4543
H4B···H8B1	1.9888	H9B2···H2A^v	3.3194
H4B···H8B2	2.6163	H9B2···H3A^v	3.3943
H6A···H8A1	3.5813	H9B2···H9B1^v	3.2489
H6B···H8B1	3.5854	H9B2···H13B^v	2.5824
H8A1···H9A1	2.4195	H9B2···H17D^v	3.0969
H8A1···H9A2	2.3025	H9B2···H17E^v	3.3127
H8A2···H9A1	2.3013	H13A···O1Bⁱⁱⁱ	3.5115
H8A2···H9A2	2.8577	H13A···N1B^x	3.4617
H8B1···H9B1	2.4135	H13A···C9A^xi	2.9967
H8B1···H9B2	2.3030	H13A···H1B^x	3.2562
H8B2···H9B1	2.3020	H13A···H1Bⁱⁱⁱ	3.3828
H8B2···H9B2	2.8566	H13A···H8A1^xi	3.4374
H9A1···H13A	2.4265	H13A···H9A1^xi	2.5694
H9A2···H13A	2.9957	H13A···H9A2^xi	2.5567
H9B1···H13B	2.4275	H13B···O1A	3.5000
H9B2···H13B	3.0136	H13B···O1Aⁱ	3.5656
H13A···H17A	2.2374	H13B···N1A	3.4371
H13A···H17B	2.3898	H13B···C1A	3.5271
H13A···H17C	3.4914	H13B···C9B^v	3.0242
H13B···H17D	2.2690	H13B···H1A	3.2363
H13B···H17E	2.3465	H13B···H1Aⁱ	3.3392
H13B···H17F	3.4883	H13B···H9B1^v	2.5684
H15A···H16A	2.3198	H13B···H9B2^v	2.5824
H15B···H16B	2.3119	H15A···O1A^vii	3.3651
O1A···H1Aⁱ	1.82 (3)	H15A···C17B^viii	2.9481
O1A···H2Aⁱ	3.5344	H15A···H2A^viii	2.9548
O1A···H8B2	2.9740	H15A···H8B2^vii	2.9180
O1A···H9B1	2.6898	H15A···H17D^viii	3.4425
O1A···H13B	3.5000	H15A···H17E^viii	2.4894
O1A···H13Bⁱ	3.5656	H15A···H17F^viii	2.5707
O1A···H15A^vii	3.3651	H15B···O1B^vi	3.1705
O1A···H17Eⁱ	2.4719	H15B···C17A^xii	2.9788
O1B···H1Bⁱⁱ	1.80 (3)	H15B···H1B^ix	3.5086
O1B···H2Bⁱⁱ	3.5356	H15B···H2B^ix	2.9363
O1B···H8A2^iv	2.9375	H15B···H6B^vi	3.5873
O1B···H9A1^iv	2.7271	H15B···H8A2^v	2.7849
O1B···H13Aⁱⁱⁱ	3.5115	H15B···H17A^xii	3.5094
O1B···H15B^vi	3.1705	H15B···H17B^xii	2.3967
O1B···H17Bⁱⁱⁱ	2.4912	H15B···H17C^xii	2.7158
O2A···H3B	2.9423	H16A···O2A^vii	3.4235
O2A···H3B^vii	3.3296	H16A···C3B	3.1966
O2A···H4B	2.5865	H16A···H3B	2.3163
O2A···H8B1	3.0557	H16A···H17F^viii	2.7900
O2A···H16A^vii	3.4235	H16B···O2B^vi	3.1853
O2A···H17D^v	2.6679	H16B···C3A^iv	3.2609
O2A···H17F^v	3.1116	H16B···C17A^xii	3.5415
O2B···H3A^iv	2.8622	H16B···H3A^iv	2.3352
O2B···H3A^v	3.4629	H16B···H6B^vi	3.5601
O2B···H4A^iv	2.5858	H16B···H17B^xii	3.4993
O2B···H8A1^iv	3.1964	H16B···H17C^xii	2.7607
O2B···H16B^vi	3.1853	H17A···O2B^vii	2.6864
O2B···H17A^vii	2.6864	H17A···C6B^vii	3.2234
O2B···H17C^vii	3.1185	H17A···C7B^vii	3.2767
O3A···H2A^viii	2.3436	H17A···C8A^xi	3.3019
O3A···H8B2^vii	3.2863	H17A···C9A^xi	3.4878
O3B···H2B^ix	2.3441	H17A···C12B^vii	3.0581
O3B···H8A2^v	3.2070	H17A···H4A^xi	3.3142
N1A···H1Aⁱ	2.93 (3)	H17A···H6B^vii	2.9790
N1A···H9B2^v	3.0336	H17A···H8A1^xi	2.4631
N1A···H13B	3.4371	H17A···H9A1^xi	3.2732
N1A···H17E	3.3986	H17A···H9A2^xi	3.2760
N1B···H1Bⁱⁱ	2.92 (3)	H17A···H15B^xiii	3.5094
N1B···H9A2^vii	2.9853	H17B···O1Bⁱⁱⁱ	2.4912
N1B···H13A^iv	3.4617	H17B···N1B^x	3.5354
N1B···H17B^iv	3.5354	H17B···C1Bⁱⁱⁱ	3.2559
C1A···H1Aⁱ	2.71 (3)	H17B···C15B^xiii	3.2749
C1A···H9B1	2.9602	H17B···H1B^x	2.9558
C1A···H9B2^v	3.2985	H17B···H8A1^xi	3.3408
C1A···H13B	3.5271	H17B···H9A2^xi	3.4983
C1A···H17Eⁱ	3.2226	H17B···H15B^xiii	2.3967
C1B···H1Bⁱⁱ	2.70 (3)	H17B···H16B^xiii	3.4993
C1B···H9A1^iv	2.9439	H17C···O2B^vii	3.1185
C1B···H9A2^vii	3.2133	H17C···C2A^viii	3.5271
C1B···H17Bⁱⁱⁱ	3.2559	H17C···C3A^viii	3.5886
C2A···H9B2^v	2.8904	H17C···C12B^vii	3.4482
C2A···H17C^ix	3.5271	H17C···C15B^xiii	3.2706
C2B···H9A2^vii	2.8657	H17C···C16B^xiii	3.2954
C2B···H17F^viii	3.5513	H17C···H2A^viii	2.9064
C3A···H9B2^v	2.9447	H17C···H3A^viii	3.0415
C3A···H16B^x	3.2609	H17C···H8A1^xi	3.5252
C3A···H17C^ix	3.5886	H17C···H15B^xiii	2.7158
C3B···H9A2^vii	2.9221	H17C···H16B^xiii	2.7607
C3B···H16A	3.1966	H17D···O2A^v	2.6679
C4A···H9B2^v	3.1532	H17D···C6A^v	3.1614
C4B···H9A2^vii	3.1002	H17D···C7A^v	3.2187
C5A···H9B1	3.2785	H17D···C8B^v	3.2661
C5A···H9B2^v	3.3625	H17D···C9B^v	3.3347
C5B···H9A1^iv	3.2986	H17D···C12A^v	3.0137
C5B···H9A2^vii	3.2826	H17D···H4B^v	3.4945
C6A···H9B1	3.2624	H17D···H6A^v	2.9212
C6A···H17D^v	3.1614	H17D···H8B1^v	2.4760
C6B···H9A1^iv	3.3610	H17D···H9B1^v	3.0913
C6B···H17A^vii	3.2234	H17D···H9B2^v	3.0969
C7A···H3B^vii	3.4330	H17D···H15A^ix	3.4425
C7A···H17D^v	3.2187	H17E···O1Aⁱ	2.4719
C7B···H3A^v	3.5482	H17E···N1A	3.3986
C7B···H17A^vii	3.2767	H17E···C1Aⁱ	3.2226
C8A···H6B^x	3.2921	H17E···C15A^ix	3.3979
C8A···H17A^xi	3.3019	H17E···H1A	2.8349
C8B···H6A	3.2615	H17E···H2A	3.5542
C8B···H17D^v	3.2661	H17E···H8B1^v	3.3942
C9A···H6B^x	3.5559	H17E···H9B2^v	3.3127
C9A···H9A1^xi	3.3310	H17E···H15A^ix	2.4894
C9A···H13A^xi	2.9967	H17F···O2A^v	3.1116
C9A···H17A^xi	3.4878	H17F···C2B^ix	3.5513
C9B···H6A	3.4562	H17F···C12A^v	3.4151
C9B···H9B1^v	3.5565	H17F···C15A^ix	3.2020
C9B···H13B^v	3.0242	H17F···C16A^ix	3.3113
C9B···H17D^v	3.3347	H17F···H2B^ix	2.9233
C10A···H1Bⁱⁱⁱ	3.36 (3)	H17F···H3B^ix	3.1267
C10A···H4B^vii	3.3067	H17F···H8B1^v	3.4716
C10B···H1Aⁱ	3.36 (3)	H17F···H15A^ix	2.5707
C10B···H4A^v	3.3216	H17F···H16A^ix	2.7900

C14A—O3A—C17A	117.87 (17)	C1A—N1A—H1A	116.4 (16)
C14B—O3B—C17B	118.04 (17)	C2A—N1A—H1A	118.6 (16)
C1A—N1A—C2A	124.77 (18)	C1B—N1B—H1B	117.6 (16)
C1B—N1B—C2B	124.09 (19)	C2B—N1B—H1B	118.2 (16)
O1A—C1A—N1A	119.19 (18)	N1A—C2A—H2A	120.047
O1A—C1A—C5A	124.94 (19)	C3A—C2A—H2A	120.062
N1A—C1A—C5A	115.9 (2)	N1B—C2B—H2B	119.577
O1B—C1B—N1B	119.22 (18)	C3B—C2B—H2B	119.570
O1B—C1B—C5B	124.91 (19)	C2A—C3A—H3A	120.562
N1B—C1B—C5B	115.87 (19)	C4A—C3A—H3A	120.571
N1A—C2A—C3A	119.9 (2)	C2B—C3B—H3B	120.798
N1B—C2B—C3B	120.9 (2)	C4B—C3B—H3B	120.786
C2A—C3A—C4A	118.9 (3)	C3A—C4A—H4A	118.985
C2B—C3B—C4B	118.4 (3)	C5A—C4A—H4A	118.981
C3A—C4A—C5A	122.0 (2)	C3B—C4B—H4B	118.977
C3B—C4B—C5B	122.0 (2)	C5B—C4B—H4B	118.991
C1A—C5A—C4A	118.51 (19)	C5A—C6A—H6A	114.725
C1A—C5A—C6A	115.3 (2)	C7A—C6A—H6A	114.724
C4A—C5A—C6A	126.10 (19)	C5B—C6B—H6B	114.869
C1B—C5B—C4B	118.65 (19)	C7B—C6B—H6B	114.869
C1B—C5B—C6B	115.41 (19)	C7A—C8A—H8A1	108.953
C4B—C5B—C6B	125.82 (19)	C7A—C8A—H8A2	108.949
C5A—C6A—C7A	130.6 (2)	C9A—C8A—H8A1	108.951
C5B—C6B—C7B	130.3 (2)	C9A—C8A—H8A2	108.949
C6A—C7A—C8A	126.42 (19)	H8A1—C8A—H8A2	107.768
C6A—C7A—C12A	116.3 (2)	C7B—C8B—H8B1	108.959
C8A—C7A—C12A	117.25 (17)	C7B—C8B—H8B2	108.961
C6B—C7B—C8B	126.74 (19)	C9B—C8B—H8B1	108.958
C6B—C7B—C12B	116.4 (2)	C9B—C8B—H8B2	108.957
C8B—C7B—C12B	116.84 (18)	H8B1—C8B—H8B2	107.760
C7A—C8A—C9A	113.13 (19)	C8A—C9A—H9A1	109.091
C7B—C8B—C9B	113.11 (19)	C8A—C9A—H9A2	109.092
C8A—C9A—C10A	112.54 (19)	C10A—C9A—H9A1	109.085
C8B—C9B—C10B	112.72 (19)	C10A—C9A—H9A2	109.087
C9A—C10A—C11A	120.40 (18)	H9A1—C9A—H9A2	107.832
C9A—C10A—C13A	119.5 (2)	C8B—C9B—H9B1	109.041
C11A—C10A—C13A	119.94 (19)	C8B—C9B—H9B2	109.049
C9B—C10B—C11B	120.00 (18)	C10B—C9B—H9B1	109.055
C9B—C10B—C13B	119.72 (19)	C10B—C9B—H9B2	109.048
C11B—C10B—C13B	120.15 (18)	H9B1—C9B—H9B2	107.811
C10A—C11A—C12A	121.74 (18)	C10A—C13A—H13A	120.007
C10A—C11A—C16A	119.34 (19)	C14A—C13A—H13A	120.000
C12A—C11A—C16A	118.8 (2)	C10B—C13B—H13B	120.131
C10B—C11B—C12B	121.83 (18)	C14B—C13B—H13B	120.134
C10B—C11B—C16B	118.97 (19)	C14A—C15A—H15A	120.013
C12B—C11B—C16B	119.2 (2)	C16A—C15A—H15A	120.010
O2A—C12A—C7A	121.79 (19)	C14B—C15B—H15B	119.841
O2A—C12A—C11A	120.46 (19)	C16B—C15B—H15B	119.843
C7A—C12A—C11A	117.75 (19)	C11A—C16A—H16A	119.693
O2B—C12B—C7B	121.47 (19)	C15A—C16A—H16A	119.690
O2B—C12B—C11B	120.49 (18)	C11B—C16B—H16B	119.642
C7B—C12B—C11B	118.04 (19)	C15B—C16B—H16B	119.641
C10A—C13A—C14A	120.0 (2)	O3A—C17A—H17A	109.475
C10B—C13B—C14B	119.7 (2)	O3A—C17A—H17B	109.477
O3A—C14A—C13A	124.7 (2)	O3A—C17A—H17C	109.471
O3A—C14A—C15A	115.17 (19)	H17A—C17A—H17B	109.471
C13A—C14A—C15A	120.1 (2)	H17A—C17A—H17C	109.464
O3B—C14B—C13B	124.3 (2)	H17B—C17A—H17C	109.469
O3B—C14B—C15B	115.61 (19)	O3B—C17B—H17D	109.470
C13B—C14B—C15B	120.1 (2)	O3B—C17B—H17E	109.468
C14A—C15A—C16A	120.0 (3)	O3B—C17B—H17F	109.473
C14B—C15B—C16B	120.3 (2)	H17D—C17B—H17E	109.466
C11A—C16A—C15A	120.6 (3)	H17D—C17B—H17F	109.473
C11B—C16B—C15B	120.7 (3)	H17E—C17B—H17F	109.478

C17A—O3A—C14A—C13A	−0.9 (4)	C8B—C7B—C12B—O2B	−169.3 (2)
C17A—O3A—C14A—C15A	179.70 (19)	C8B—C7B—C12B—C11B	10.0 (3)
C17B—O3B—C14B—C13B	−1.2 (4)	C12B—C7B—C8B—C9B	−38.7 (3)
C17B—O3B—C14B—C15B	179.56 (19)	C7A—C8A—C9A—C10A	48.0 (3)
C1A—N1A—C2A—C3A	1.6 (4)	C7B—C8B—C9B—C10B	48.6 (3)
C2A—N1A—C1A—O1A	−178.9 (2)	C8A—C9A—C10A—C11A	−30.5 (3)
C2A—N1A—C1A—C5A	−0.2 (4)	C8A—C9A—C10A—C13A	153.73 (18)
C1B—N1B—C2B—C3B	1.2 (4)	C8B—C9B—C10B—C11B	−31.3 (3)
C2B—N1B—C1B—O1B	−178.9 (2)	C8B—C9B—C10B—C13B	152.79 (18)
C2B—N1B—C1B—C5B	0.6 (4)	C9A—C10A—C11A—C12A	0.7 (4)
O1A—C1A—C5A—C4A	176.6 (2)	C9A—C10A—C11A—C16A	−176.02 (19)
O1A—C1A—C5A—C6A	−0.5 (4)	C9A—C10A—C13A—C14A	175.01 (18)
N1A—C1A—C5A—C4A	−2.1 (3)	C11A—C10A—C13A—C14A	−0.8 (4)
N1A—C1A—C5A—C6A	−179.12 (17)	C13A—C10A—C11A—C12A	176.46 (19)
O1B—C1B—C5B—C4B	176.5 (2)	C13A—C10A—C11A—C16A	−0.3 (4)
O1B—C1B—C5B—C6B	0.4 (4)	C9B—C10B—C11B—C12B	2.2 (4)
N1B—C1B—C5B—C4B	−2.9 (3)	C9B—C10B—C11B—C16B	−175.18 (18)
N1B—C1B—C5B—C6B	−179.10 (18)	C9B—C10B—C13B—C14B	174.82 (18)
N1A—C2A—C3A—C4A	−0.5 (4)	C11B—C10B—C13B—C14B	−1.0 (4)
N1B—C2B—C3B—C4B	−0.7 (4)	C13B—C10B—C11B—C12B	178.08 (19)
C2A—C3A—C4A—C5A	−1.9 (4)	C13B—C10B—C11B—C16B	0.7 (4)
C2B—C3B—C4B—C5B	−1.8 (4)	C10A—C11A—C12A—O2A	−169.6 (2)
C3A—C4A—C5A—C1A	3.2 (4)	C10A—C11A—C12A—C7A	11.0 (4)
C3A—C4A—C5A—C6A	179.8 (2)	C10A—C11A—C16A—C15A	0.7 (4)
C3B—C4B—C5B—C1B	3.6 (4)	C12A—C11A—C16A—C15A	−176.1 (2)
C3B—C4B—C5B—C6B	179.3 (2)	C16A—C11A—C12A—O2A	7.2 (4)
C1A—C5A—C6A—C7A	−163.1 (2)	C16A—C11A—C12A—C7A	−172.2 (2)
C4A—C5A—C6A—C7A	20.2 (4)	C10B—C11B—C12B—O2B	−171.6 (2)
C1B—C5B—C6B—C7B	−162.5 (2)	C10B—C11B—C12B—C7B	9.2 (3)
C4B—C5B—C6B—C7B	21.6 (4)	C10B—C11B—C16B—C15B	0.0 (4)
C5A—C6A—C7A—C8A	1.5 (4)	C12B—C11B—C16B—C15B	−177.4 (2)
C5A—C6A—C7A—C12A	−177.9 (2)	C16B—C11B—C12B—O2B	5.8 (4)
C5B—C6B—C7B—C8B	0.6 (4)	C16B—C11B—C12B—C7B	−173.4 (2)
C5B—C6B—C7B—C12B	−178.0 (2)	C10A—C13A—C14A—O3A	−178.1 (2)
C6A—C7A—C8A—C9A	142.6 (3)	C10A—C13A—C14A—C15A	1.3 (4)
C6A—C7A—C12A—O2A	8.7 (4)	C10B—C13B—C14B—O3B	−178.5 (2)
C6A—C7A—C12A—C11A	−171.92 (19)	C10B—C13B—C14B—C15B	0.7 (4)
C8A—C7A—C12A—O2A	−170.8 (2)	O3A—C14A—C15A—C16A	178.6 (2)
C8A—C7A—C12A—C11A	8.6 (3)	C13A—C14A—C15A—C16A	−0.9 (4)
C12A—C7A—C8A—C9A	−37.9 (3)	O3B—C14B—C15B—C16B	179.3 (2)
C6B—C7B—C8B—C9B	142.7 (3)	C13B—C14B—C15B—C16B	0.0 (4)
C6B—C7B—C12B—O2B	9.5 (4)	C14A—C15A—C16A—C11A	−0.2 (4)
C6B—C7B—C12B—C11B	−171.26 (19)	C14B—C15B—C16B—C11B	−0.4 (4)