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. 2017 Aug 25;73(Pt 9):1382–1384. doi: 10.1107/S2056989017012129
S1—C1 1.6959 (14) C8—C9 1.3914 (18)
O—C7 1.3708 (16) C10—C11 1.498 (2)
O—H0 0.86 (2) C10—C12 1.495 (2)
N1—C3 1.4527 (19) C3—H3A 0.9900
N1—C1 1.3328 (19) C3—H3B 0.9900
N2—N3 1.3929 (17) C5—H5 0.9500
N2—C1 1.3554 (19) C6—H6 0.9500
N3—C10 1.284 (2) C8—H8 0.9500
N1—H1 0.839 (18) C9—H9 0.9500
N2—H2 0.849 (18) C11—H11A 0.9800
C3—C4 1.5186 (18) C11—H11B 0.9800
C4—C5 1.391 (2) C11—H11C 0.9800
C4—C9 1.395 (2) C12—H12A 0.9800
C5—C6 1.3914 (19) C12—H12B 0.9800
C6—C7 1.392 (2) C12—H12C 0.9800
C7—C8 1.391 (2)
C7—O—H0 111.1 (13) N1—C3—H3B 109.00
C1—N1—C3 124.73 (12) C4—C3—H3A 109.00
N2—N3—C10 116.82 (12) C4—C3—H3B 109.00
S1—C1—N1 124.19 (11) H3A—C3—H3B 108.00
S1—C1—N2 119.75 (11) C4—C5—H5 119.00
C1—N1—H1 115.1 (12) C6—C5—H5 119.00
C3—N1—H1 119.1 (12) C5—C6—H6 120.00
N1—C1—N2 116.05 (12) C7—C6—H6 120.00
N3—N2—H2 120.9 (12) C7—C8—H8 120.00
C1—N2—H2 116.2 (13) C9—C8—H8 120.00
N1—C3—C4 113.39 (12) C4—C9—H9 119.00
C3—C4—C5 122.91 (12) C8—C9—H9 119.00
C5—C4—C9 118.17 (12) C10—C11—H11A 109.00
C3—C4—C9 118.92 (12) C10—C11—H11B 109.00
C4—C5—C6 121.31 (13) C10—C11—H11C 109.00
C5—C6—C7 119.54 (13) H11A—C11—H11B 109.00
O—C7—C6 117.57 (13) H11A—C11—H11C 109.00
C6—C7—C8 120.21 (12) H11B—C11—H11C 109.00
O—C7—C8 122.21 (12) C10—C12—H12A 109.00
C7—C8—C9 119.30 (13) C10—C12—H12B 109.00
C4—C9—C8 121.46 (13) C10—C12—H12C 109.00
N3—C10—C12 116.82 (14) H12A—C12—H12B 109.00
C11—C10—C12 116.61 (14) H12A—C12—H12C 109.00
N3—C10—C11 126.57 (13) H12B—C12—H12C 109.00
N1—C3—H3A 109.00
C3—N1—C1—S1 10.03 (19) C3—C4—C9—C8 178.25 (13)
C3—N1—C1—N2 −171.02 (12) C3—C4—C5—C6 −178.75 (14)
C1—N1—C3—C4 97.14 (15) C9—C4—C5—C6 0.6 (2)
C1—N2—N3—C10 −175.62 (14) C5—C4—C9—C8 −1.1 (2)
N3—N2—C1—S1 −170.98 (10) C4—C5—C6—C7 0.7 (2)
N3—N2—C1—N1 10.02 (19) C5—C6—C7—C8 −1.4 (2)
N2—N3—C10—C12 −178.18 (13) C5—C6—C7—O 178.34 (13)
N2—N3—C10—C11 1.5 (2) O—C7—C8—C9 −178.83 (13)
N1—C3—C4—C9 169.60 (13) C6—C7—C8—C9 0.9 (2)
N1—C3—C4—C5 −11.0 (2) C7—C8—C9—C4 0.4 (2)