Skip to main content
. 2022 May 20;7(Pt 5):x220525. doi: 10.1107/S2414314622005259
O1—H1C 0.8753 C1—N1Ai 1.474 (4)
O1—H1Ci 0.88 (6) C1—H1A 0.92 (3)
O1—H1D 0.8752 C1—H1B 0.86 (4)
O1—H1Di 0.88 (8) C7—H7 0.9400
O2—H2B 0.8688 C7—C8 1.326 (7)
O2—H2Bi 0.87 (5) C8—H8 0.9400
O2—H2C 0.8975 C8A—H8A 0.9400
O2—H2Ci 0.90 (6) C8A—C7A 1.328 (6)
N1—C2 1.3385 C8A—C9A 1.468 (6)
N1—C6 1.3481 C7A—H7A 0.9400
N1—C1 1.480 (5) C7A—C4A 1.467 (7)
C2—H2 0.9400 N1A—C2A 1.3482
C2—C3 1.3755 N1A—C6A 1.3387
C3—H3 0.9400 C2A—H2A 0.9400
C3—C4 1.3742 C2A—C3A 1.3735
C4—C5 1.3759 C3A—H3A 0.9400
C4—C7 1.453 (7) C3A—C4A 1.3761
C5—H5 0.9400 C4A—C5A 1.3737
C5—C6 1.3734 C5A—H5A 0.9400
C6—H6 0.9400 C5A—C6A 1.3753
N2—C11 1.3275 C6A—H6A 0.9400
N2—C12 1.3235 N2A—C11A 1.3241
C11—H11 0.9400 N2A—C12A 1.3271
C11—C10 1.3868 C11A—H11A 0.9400
C10—H10 0.9400 C11A—C10A 1.3883
C10—C9 1.3715 C10A—H10A 0.9400
C9—C13 1.3756 C10A—C9A 1.3758
C9—C8 1.464 (7) C9A—C13A 1.3709
C13—H13 0.9400 C13A—H13A 0.9400
C13—C12 1.3883 C13A—C12A 1.3864
C12—H12 0.9400 C12A—H12A 0.9400
C1—N1A 1.474 (4)
H1C—O1—H1Ci 65.7 N1A—C1—H1A 110.0 (10)
H1Ci—O1—H1Di 94.5 N1Ai—C1—H1A 110.0 (10)
H1C—O1—H1Di 43.5 N1Ai—C1—H1B 104.5 (13)
H1C—O1—H1D 94.5 N1A—C1—H1B 104.5 (13)
H1D—O1—H1Ci 43.5 H1A—C1—H1B 118 (3)
H1D—O1—H1Di 95.8 C4—C7—H7 117.4
H2B—O2—H2Bi 48.2 C8—C7—C4 125.3 (6)
H2Bi—O2—H2Ci 93.4 C8—C7—H7 117.4
H2B—O2—H2Ci 118.4 C9—C8—H8 117.9
H2B—O2—H2C 93.4 C7—C8—C9 124.2 (5)
H2C—O2—H2Bi 118.4 C7—C8—H8 117.9
H2C—O2—H2Ci 61.2 C7A—C8A—H8A 117.5
C2—N1—C6 120.9 C7A—C8A—C9A 125.1 (5)
C2—N1—C1 119.6 (5) C9A—C8A—H8A 117.5
C6—N1—C1 119.4 (5) C8A—C7A—H7A 117.7
N1—C2—H2 120.1 C8A—C7A—C4A 124.7 (5)
N1—C2—C3 119.8 C4A—C7A—H7A 117.7
C3—C2—H2 120.1 C2A—N1A—C1 119.3 (4)
C2—C3—H3 119.3 C6A—N1A—C1 119.8 (4)
C4—C3—C2 121.4 C6A—N1A—C2A 120.9
C4—C3—H3 119.3 N1A—C2A—H2A 120.2
C3—C4—C5 117.0 N1A—C2A—C3A 119.7
C3—C4—C7 118.6 (4) C3A—C2A—H2A 120.2
C5—C4—C7 124.4 (4) C2A—C3A—H3A 119.4
C4—C5—H5 119.4 C2A—C3A—C4A 121.3
C6—C5—C4 121.3 C4A—C3A—H3A 119.4
C6—C5—H5 119.4 C3A—C4A—C7A 117.9 (4)
N1—C6—C5 119.7 C5A—C4A—C7A 125.1 (4)
N1—C6—H6 120.2 C5A—C4A—C3A 117.0
C5—C6—H6 120.2 C4A—C5A—H5A 119.3
C12—N2—C11 116.8 C4A—C5A—C6A 121.4
N2—C11—H11 118.6 C6A—C5A—H5A 119.3
N2—C11—C10 122.9 N1A—C6A—C5A 119.8
C10—C11—H11 118.6 N1A—C6A—H6A 120.1
C11—C10—H10 119.7 C5A—C6A—H6A 120.1
C9—C10—C11 120.6 C11A—N2A—C12A 116.8
C9—C10—H10 119.7 N2A—C11A—H11A 118.2
C10—C9—C13 116.4 N2A—C11A—C10A 123.5
C10—C9—C8 119.3 (5) C10A—C11A—H11A 118.2
C13—C9—C8 124.3 (5) C11A—C10A—H10A 120.1
C9—C13—H13 120.1 C9A—C10A—C11A 119.8
C9—C13—C12 119.8 C9A—C10A—H10A 120.1
C12—C13—H13 120.1 C10A—C9A—C8A 119.4 (4)
N2—C12—C13 123.5 C13A—C9A—C8A 124.2 (4)
N2—C12—H12 118.2 C13A—C9A—C10A 116.4
C13—C12—H12 118.2 C9A—C13A—H13A 119.7
N1i—C1—N1 110.9 (10) C9A—C13A—C12A 120.6
N1—C1—H1A 102.9 (11) C12A—C13A—H13A 119.7
N1i—C1—H1A 102.9 (11) N2A—C12A—C13A 122.8
N1—C1—H1B 110.9 (11) N2A—C12A—H12A 118.6
N1i—C1—H1B 110.9 (11) C13A—C12A—H12A 118.6
N1A—C1—N1Ai 109.8 (9)
N1—C2—C3—C4 −1.2 C7—C4—C5—C6 −179.8 (6)
C2—N1—C6—C5 −0.9 C8—C9—C13—C12 179.8 (6)
C2—N1—C1—N1i −84.1 (7) C8A—C7A—C4A—C3A 178.8 (4)
C2—C3—C4—C5 0.7 C8A—C7A—C4A—C5A 0.2 (6)
C2—C3—C4—C7 −179.8 (6) C8A—C9A—C13A—C12A −178.8 (6)
C3—C4—C5—C6 −0.3 C7A—C8A—C9A—C10A −176.9 (4)
C3—C4—C7—C8 −177.3 (5) C7A—C8A—C9A—C13A 2.7 (7)
C4—C5—C6—N1 0.4 C7A—C4A—C5A—C6A 179.4 (5)
C4—C7—C8—C9 179.1 (4) N1Ai—C1—N1A—C2A 76.4 (7)
C5—C4—C7—C8 2.2 (7) N1Ai—C1—N1A—C6A −102.3 (5)
C6—N1—C2—C3 1.3 N1A—C2A—C3A—C4A 0.5
C6—N1—C1—N1i 94.7 (7) C2A—N1A—C6A—C5A 1.2
N2—C11—C10—C9 0.2 C2A—C3A—C4A—C7A −179.2 (5)
C11—N2—C12—C13 0.7 C2A—C3A—C4A—C5A −0.5
C11—C10—C9—C13 0.8 C3A—C4A—C5A—C6A 0.8
C11—C10—C9—C8 180.0 (6) C4A—C5A—C6A—N1A −1.2
C10—C9—C13—C12 −1.1 C6A—N1A—C2A—C3A −0.9
C10—C9—C8—C7 177.0 (5) N2A—C11A—C10A—C9A 0.0
C9—C13—C12—N2 0.3 C11A—N2A—C12A—C13A −1.1
C13—C9—C8—C7 −3.9 (7) C11A—C10A—C9A—C8A 178.7 (6)
C12—N2—C11—C10 −1.0 C11A—C10A—C9A—C13A −1.0
C1—N1—C2—C3 180.0 (10) C10A—C9A—C13A—C12A 0.8
C1—N1—C6—C5 −179.6 (9) C9A—C8A—C7A—C4A −180.0 (4)
C1—N1A—C2A—C3A −179.6 (8) C9A—C13A—C12A—N2A 0.2
C1—N1A—C6A—C5A 179.9 (8) C12A—N2A—C11A—C10A 1.0