Skip to main content
. 2013 Jan 26;69(Pt 2):o293–o294. doi: 10.1107/S1600536813001943
O1A—C2A 1.2266 (17) O4C—C13C 1.4549 (18)
O2A—C3A 1.4057 (17) N1C—C2C 1.3371 (18)
O2A—H2A 0.809 (15) N1C—C1C 1.4589 (18)
O3A—C12A 1.2039 (17) N1C—C5C 1.4698 (17)
O4A—C12A 1.3469 (17) C1C—H1CA 0.9800
O4A—C13A 1.4548 (17) C1C—H1CB 0.9800
N1A—C2A 1.3482 (19) C1C—H1CC 0.9800
N1A—C1A 1.4568 (19) C2C—C3C 1.5196 (19)
N1A—C5A 1.4671 (18) C3C—C4C 1.5337 (19)
C1A—H1AA 0.9800 C3C—H3C 1.0000
C1A—H1AB 0.9800 C4C—C12C 1.5109 (19)
C1A—H1AC 0.9800 C4C—C5C 1.5571 (19)
C2A—C3A 1.5205 (19) C4C—H4C 1.0000
C3A—C4A 1.5338 (19) C5C—C6C 1.5164 (19)
C3A—H3A 1.0000 C5C—H5C 1.0000
C4A—C12A 1.5095 (19) C6C—C11C 1.388 (2)
C4A—C5A 1.5561 (19) C6C—C7C 1.396 (2)
C4A—H4A 1.0000 C7C—C8C 1.390 (2)
C5A—C6A 1.5163 (19) C7C—H7C 0.9500
C5A—H5A 1.0000 C8C—C9C 1.386 (2)
C6A—C7A 1.390 (2) C8C—H8C 0.9500
C6A—C11A 1.391 (2) C9C—C10C 1.384 (2)
C7A—C8A 1.392 (2) C9C—H9C 0.9500
C7A—H7A 0.9500 C10C—C11C 1.390 (2)
C8A—C9A 1.383 (2) C10C—H10C 0.9500
C8A—H8A 0.9500 C11C—H11C 0.9500
C9A—C10A 1.384 (2) C13C—C14C 1.506 (2)
C9A—H9A 0.9500 C13C—H13G 0.9900
C10A—C11A 1.390 (2) C13C—H13H 0.9900
C10A—H10A 0.9500 C14C—H14J 0.9800
C11A—H11A 0.9500 C14C—H14K 0.9800
C13A—C14A 1.510 (2) C14C—H14L 0.9800
C13A—H13C 0.9900 O1D—C2D 1.2278 (18)
C13A—H13D 0.9900 O2D—C3D 1.4029 (17)
C14A—H14D 0.9800 O2D—H2D 0.815 (15)
C14A—H14E 0.9800 O3D—C12D 1.2042 (17)
C14A—H14F 0.9800 O4D—C12D 1.3406 (18)
O1B—C2B 1.2333 (17) O4D—C13D 1.4561 (18)
O2B—C3B 1.4087 (17) N1D—C2D 1.3481 (19)
O2B—H2B 0.842 (14) N1D—C1D 1.4535 (19)
O3B—C12B 1.2023 (17) N1D—C5D 1.4659 (18)
O4B—C12B 1.3454 (17) C1D—H1DA 0.9800
O4B—C13B 1.4551 (18) C1D—H1DB 0.9800
N1B—C2B 1.3443 (18) C1D—H1DC 0.9800
N1B—C1B 1.4566 (18) C2D—C3D 1.516 (2)
N1B—C5B 1.4695 (18) C3D—C4D 1.538 (2)
C1B—H1BA 0.9800 C3D—H3D 1.0000
C1B—H1BB 0.9800 C4D—C12D 1.5094 (19)
C1B—H1BC 0.9800 C4D—C5D 1.5603 (19)
C2B—C3B 1.5210 (19) C4D—H4D 1.0000
C3B—C4B 1.5356 (19) C5D—C6D 1.5142 (19)
C3B—H3B 1.0000 C5D—H5D 1.0000
C4B—C12B 1.5105 (19) C6D—C11D 1.391 (2)
C4B—C5B 1.5587 (19) C6D—C7D 1.393 (2)
C4B—H4B 1.0000 C7D—C8D 1.389 (2)
C5B—C6B 1.5142 (19) C7D—H7D 0.9500
C5B—H5B 1.0000 C8D—C9D 1.382 (2)
C6B—C7B 1.394 (2) C8D—H8D 0.9500
C6B—C11B 1.395 (2) C9D—C10D 1.386 (2)
C7B—C8B 1.389 (2) C9D—H9D 0.9500
C7B—H7B 0.9500 C10D—C11D 1.390 (2)
C8B—C9B 1.386 (2) C10D—H10D 0.9500
C8B—H8B 0.9500 C11D—H11D 0.9500
C9B—C10B 1.384 (2) C13D—C14D 1.506 (2)
C9B—H9B 0.9500 C13D—H13A 0.9900
C10B—C11B 1.390 (2) C13D—H13B 0.9900
C10B—H10B 0.9500 C14D—H14A 0.9800
C11B—H11B 0.9500 C14D—H14B 0.9800
C13B—C14B 1.505 (2) C14D—H14C 0.9800
C13B—H13E 0.9900 O5—H5E 0.861 (14)
C13B—H13F 0.9900 O5—H5F 0.864 (14)
C14B—H14G 0.9800 O6—H6E 0.877 (14)
C14B—H14H 0.9800 O6—H6F 0.895 (14)
C14B—H14I 0.9800 O7—H7E 0.892 (14)
O1C—C2C 1.2395 (17) O7—H7F 0.871 (14)
O2C—C3C 1.4096 (17) O8—H8E 0.949 (15)
O2C—H2C 0.847 (14) O8—H8F 0.906 (14)
O3C—C12C 1.2031 (17) O9—H9E 0.899 (14)
O4C—C12C 1.3472 (17) O9—H9F 0.838 (15)
C3A—O2A—H2A 112.0 (14) C2C—N1C—C5C 113.34 (11)
C12A—O4A—C13A 116.42 (11) C1C—N1C—C5C 119.94 (11)
C2A—N1A—C1A 121.99 (13) N1C—C1C—H1CA 109.5
C2A—N1A—C5A 113.88 (11) N1C—C1C—H1CB 109.5
C1A—N1A—C5A 120.92 (12) H1CA—C1C—H1CB 109.5
N1A—C1A—H1AA 109.5 N1C—C1C—H1CC 109.5
N1A—C1A—H1AB 109.5 H1CA—C1C—H1CC 109.5
H1AA—C1A—H1AB 109.5 H1CB—C1C—H1CC 109.5
N1A—C1A—H1AC 109.5 O1C—C2C—N1C 126.51 (13)
H1AA—C1A—H1AC 109.5 O1C—C2C—C3C 124.09 (12)
H1AB—C1A—H1AC 109.5 N1C—C2C—C3C 109.26 (12)
O1A—C2A—N1A 125.70 (13) O2C—C3C—C2C 113.76 (11)
O1A—C2A—C3A 126.07 (13) O2C—C3C—C4C 113.58 (11)
N1A—C2A—C3A 108.15 (12) C2C—C3C—C4C 103.96 (11)
O2A—C3A—C2A 113.95 (11) O2C—C3C—H3C 108.4
O2A—C3A—C4A 114.69 (11) C2C—C3C—H3C 108.4
C2A—C3A—C4A 103.82 (11) C4C—C3C—H3C 108.4
O2A—C3A—H3A 108.0 C12C—C4C—C3C 110.32 (11)
C2A—C3A—H3A 108.0 C12C—C4C—C5C 111.80 (11)
C4A—C3A—H3A 108.0 C3C—C4C—C5C 103.19 (11)
C12A—C4A—C3A 110.07 (11) C12C—C4C—H4C 110.4
C12A—C4A—C5A 111.26 (11) C3C—C4C—H4C 110.4
C3A—C4A—C5A 103.00 (11) C5C—C4C—H4C 110.4
C12A—C4A—H4A 110.8 N1C—C5C—C6C 114.00 (11)
C3A—C4A—H4A 110.8 N1C—C5C—C4C 103.28 (10)
C5A—C4A—H4A 110.8 C6C—C5C—C4C 113.98 (11)
N1A—C5A—C6A 114.11 (11) N1C—C5C—H5C 108.4
N1A—C5A—C4A 102.66 (11) C6C—C5C—H5C 108.4
C6A—C5A—C4A 113.89 (11) C4C—C5C—H5C 108.4
N1A—C5A—H5A 108.6 C11C—C6C—C7C 119.09 (13)
C6A—C5A—H5A 108.6 C11C—C6C—C5C 122.96 (13)
C4A—C5A—H5A 108.6 C7C—C6C—C5C 117.87 (12)
C7A—C6A—C11A 119.07 (13) C8C—C7C—C6C 120.38 (14)
C7A—C6A—C5A 118.23 (12) C8C—C7C—H7C 119.8
C11A—C6A—C5A 122.65 (13) C6C—C7C—H7C 119.8
C6A—C7A—C8A 120.30 (13) C9C—C8C—C7C 120.14 (14)
C6A—C7A—H7A 119.9 C9C—C8C—H8C 119.9
C8A—C7A—H7A 119.9 C7C—C8C—H8C 119.9
C9A—C8A—C7A 120.36 (14) C10C—C9C—C8C 119.63 (14)
C9A—C8A—H8A 119.8 C10C—C9C—H9C 120.2
C7A—C8A—H8A 119.8 C8C—C9C—H9C 120.2
C8A—C9A—C10A 119.55 (14) C9C—C10C—C11C 120.46 (14)
C8A—C9A—H9A 120.2 C9C—C10C—H10C 119.8
C10A—C9A—H9A 120.2 C11C—C10C—H10C 119.8
C9A—C10A—C11A 120.35 (14) C6C—C11C—C10C 120.29 (14)
C9A—C10A—H10A 119.8 C6C—C11C—H11C 119.9
C11A—C10A—H10A 119.8 C10C—C11C—H11C 119.9
C10A—C11A—C6A 120.36 (14) O3C—C12C—O4C 124.24 (13)
C10A—C11A—H11A 119.8 O3C—C12C—C4C 125.48 (13)
C6A—C11A—H11A 119.8 O4C—C12C—C4C 110.28 (11)
O3A—C12A—O4A 123.95 (13) O4C—C13C—C14C 110.57 (12)
O3A—C12A—C4A 125.07 (13) O4C—C13C—H13G 109.5
O4A—C12A—C4A 110.98 (11) C14C—C13C—H13G 109.5
O4A—C13A—C14A 111.17 (12) O4C—C13C—H13H 109.5
O4A—C13A—H13C 109.4 C14C—C13C—H13H 109.5
C14A—C13A—H13C 109.4 H13G—C13C—H13H 108.1
O4A—C13A—H13D 109.4 C13C—C14C—H14J 109.5
C14A—C13A—H13D 109.4 C13C—C14C—H14K 109.5
H13C—C13A—H13D 108.0 H14J—C14C—H14K 109.5
C13A—C14A—H14D 109.5 C13C—C14C—H14L 109.5
C13A—C14A—H14E 109.5 H14J—C14C—H14L 109.5
H14D—C14A—H14E 109.5 H14K—C14C—H14L 109.5
C13A—C14A—H14F 109.5 C3D—O2D—H2D 118.6 (15)
H14D—C14A—H14F 109.5 C12D—O4D—C13D 115.86 (12)
H14E—C14A—H14F 109.5 C2D—N1D—C1D 122.12 (12)
C3B—O2B—H2B 110.7 (13) C2D—N1D—C5D 113.71 (12)
C12B—O4B—C13B 116.45 (11) C1D—N1D—C5D 121.43 (12)
C2B—N1B—C1B 122.08 (12) N1D—C1D—H1DA 109.5
C2B—N1B—C5B 113.31 (11) N1D—C1D—H1DB 109.5
C1B—N1B—C5B 121.34 (12) H1DA—C1D—H1DB 109.5
N1B—C1B—H1BA 109.5 N1D—C1D—H1DC 109.5
N1B—C1B—H1BB 109.5 H1DA—C1D—H1DC 109.5
H1BA—C1B—H1BB 109.5 H1DB—C1D—H1DC 109.5
N1B—C1B—H1BC 109.5 O1D—C2D—N1D 125.38 (14)
H1BA—C1B—H1BC 109.5 O1D—C2D—C3D 126.01 (13)
H1BB—C1B—H1BC 109.5 N1D—C2D—C3D 108.56 (12)
O1B—C2B—N1B 125.88 (13) O2D—C3D—C2D 114.35 (12)
O1B—C2B—C3B 125.36 (13) O2D—C3D—C4D 115.37 (12)
N1B—C2B—C3B 108.68 (12) C2D—C3D—C4D 104.06 (11)
O2B—C3B—C2B 113.30 (11) O2D—C3D—H3D 107.6
O2B—C3B—C4B 113.41 (11) C2D—C3D—H3D 107.6
C2B—C3B—C4B 103.35 (11) C4D—C3D—H3D 107.6
O2B—C3B—H3B 108.9 C12D—C4D—C3D 109.09 (11)
C2B—C3B—H3B 108.9 C12D—C4D—C5D 111.68 (11)
C4B—C3B—H3B 108.9 C3D—C4D—C5D 102.85 (11)
C12B—C4B—C3B 109.14 (11) C12D—C4D—H4D 111.0
C12B—C4B—C5B 111.61 (11) C3D—C4D—H4D 111.0
C3B—C4B—C5B 102.60 (11) C5D—C4D—H4D 111.0
C12B—C4B—H4B 111.1 N1D—C5D—C6D 113.85 (11)
C3B—C4B—H4B 111.1 N1D—C5D—C4D 102.67 (11)
C5B—C4B—H4B 111.1 C6D—C5D—C4D 114.83 (11)
N1B—C5B—C6B 114.30 (11) N1D—C5D—H5D 108.4
N1B—C5B—C4B 102.50 (11) C6D—C5D—H5D 108.4
C6B—C5B—C4B 114.38 (11) C4D—C5D—H5D 108.4
N1B—C5B—H5B 108.4 C11D—C6D—C7D 119.13 (13)
C6B—C5B—H5B 108.4 C11D—C6D—C5D 122.66 (13)
C4B—C5B—H5B 108.4 C7D—C6D—C5D 118.20 (13)
C7B—C6B—C11B 118.98 (13) C8D—C7D—C6D 120.30 (14)
C7B—C6B—C5B 118.40 (12) C8D—C7D—H7D 119.9
C11B—C6B—C5B 122.58 (13) C6D—C7D—H7D 119.9
C8B—C7B—C6B 120.45 (14) C9D—C8D—C7D 120.42 (14)
C8B—C7B—H7B 119.8 C9D—C8D—H8D 119.8
C6B—C7B—H7B 119.8 C7D—C8D—H8D 119.8
C9B—C8B—C7B 120.20 (14) C8D—C9D—C10D 119.51 (14)
C9B—C8B—H8B 119.9 C8D—C9D—H9D 120.2
C7B—C8B—H8B 119.9 C10D—C9D—H9D 120.2
C10B—C9B—C8B 119.75 (14) C9D—C10D—C11D 120.43 (14)
C10B—C9B—H9B 120.1 C9D—C10D—H10D 119.8
C8B—C9B—H9B 120.1 C11D—C10D—H10D 119.8
C9B—C10B—C11B 120.32 (14) C10D—C11D—C6D 120.20 (14)
C9B—C10B—H10B 119.8 C10D—C11D—H11D 119.9
C11B—C10B—H10B 119.8 C6D—C11D—H11D 119.9
C10B—C11B—C6B 120.30 (14) O3D—C12D—O4D 124.07 (13)
C10B—C11B—H11B 119.9 O3D—C12D—C4D 124.25 (13)
C6B—C11B—H11B 119.9 O4D—C12D—C4D 111.68 (12)
O3B—C12B—O4B 124.07 (13) O4D—C13D—C14D 110.86 (13)
O3B—C12B—C4B 124.87 (13) O4D—C13D—H13A 109.5
O4B—C12B—C4B 111.06 (11) C14D—C13D—H13A 109.5
O4B—C13B—C14B 110.85 (13) O4D—C13D—H13B 109.5
O4B—C13B—H13E 109.5 C14D—C13D—H13B 109.5
C14B—C13B—H13E 109.5 H13A—C13D—H13B 108.1
O4B—C13B—H13F 109.5 C13D—C14D—H14A 109.5
C14B—C13B—H13F 109.5 C13D—C14D—H14B 109.5
H13E—C13B—H13F 108.1 H14A—C14D—H14B 109.5
C13B—C14B—H14G 109.5 C13D—C14D—H14C 109.5
C13B—C14B—H14H 109.5 H14A—C14D—H14C 109.5
H14G—C14B—H14H 109.5 H14B—C14D—H14C 109.5
C13B—C14B—H14I 109.5 H5E—O5—H5F 109.3 (16)
H14G—C14B—H14I 109.5 H6E—O6—H6F 104.6 (14)
H14H—C14B—H14I 109.5 H7E—O7—H7F 106.2 (15)
C3C—O2C—H2C 108.5 (13) H8E—O8—H8F 99.1 (14)
C12C—O4C—C13C 116.09 (11) H9E—O9—H9F 108.4 (16)
C2C—N1C—C1C 122.91 (12)