Skip to main content
. 2012 Jul 7;68(Pt 8):o2389. doi: 10.1107/S1600536812030115
N1—C2 1.4792 (19) N1'—C2' 1.475 (2)
N1—H1A 0.945 (18) N1'—H1'A 0.882 (19)
N1—H1B 0.902 (16) N1'—H1'B 0.897 (17)
N1—H1C 0.925 (18) N1'—H1'C 0.916 (18)
C2—C3 1.498 (2) C2'—C3' 1.505 (2)
C2—H2A 0.9900 C2'—H2'A 0.9900
C2—H2B 0.9900 C2'—H2'B 0.9900
C3—N4 1.468 (2) C3'—N4' 1.460 (2)
C3—H3A 0.9900 C3'—H3'A 0.9900
C3—H3B 0.9900 C3'—H3'B 0.9900
N4—C5 1.4625 (19) N4'—C6' 1.4640 (18)
N4—C6 1.463 (2) N4'—C5' 1.468 (2)
C5—C6i 1.506 (2) C5'—C6'ii 1.502 (2)
C5—H5A 0.9900 C5'—H5'A 0.9900
C5—H5B 0.9900 C5'—H5'B 0.9900
C6—C5i 1.506 (2) C6'—C5'ii 1.502 (2)
C6—H6A 0.9900 C6'—H6'A 0.9900
C6—H6B 0.9900 C6'—H6'B 0.9900
C7—C8 1.383 (2) C7'—C12' 1.383 (2)
C7—C12 1.390 (2) C7'—C8' 1.388 (2)
C7—C13 1.5127 (18) C7'—C13' 1.5125 (18)
C8—C9 1.389 (2) C8'—C9' 1.385 (2)
C8—H8 0.9500 C8'—H8' 0.9500
C9—C10 1.378 (3) C9'—C10' 1.383 (3)
C9—H9 0.9500 C9'—H9' 0.9500
C10—C11 1.380 (3) C10'—C11' 1.375 (3)
C10—H10 0.9500 C10'—H10' 0.9500
C11—C12 1.387 (2) C11'—C12' 1.389 (2)
C11—H11 0.9500 C11'—H11' 0.9500
C12—H12 0.9500 C12'—H12' 0.9500
C13—O14 1.2436 (17) C13'—O15' 1.2447 (17)
C13—O15 1.2690 (17) C13'—O14' 1.2599 (17)
C2—N1—H1A 105.8 (9) C2'—N1'—H1'A 106.7 (11)
C2—N1—H1B 106.8 (9) C2'—N1'—H1'B 107.8 (10)
H1A—N1—H1B 111.6 (14) H1'A—N1'—H1'B 110.8 (14)
C2—N1—H1C 111.9 (10) C2'—N1'—H1'C 111.8 (10)
H1A—N1—H1C 113.4 (14) H1'A—N1'—H1'C 109.5 (14)
H1B—N1—H1C 107.2 (14) H1'B—N1'—H1'C 110.2 (15)
N1—C2—C3 111.87 (13) N1'—C2'—C3' 111.07 (12)
N1—C2—H2A 109.2 N1'—C2'—H2'A 109.4
C3—C2—H2A 109.2 C3'—C2'—H2'A 109.4
N1—C2—H2B 109.2 N1'—C2'—H2'B 109.4
C3—C2—H2B 109.2 C3'—C2'—H2'B 109.4
H2A—C2—H2B 107.9 H2'A—C2'—H2'B 108.0
N4—C3—C2 113.21 (13) N4'—C3'—C2' 112.22 (13)
N4—C3—H3A 108.9 N4'—C3'—H3'A 109.2
C2—C3—H3A 108.9 C2'—C3'—H3'A 109.2
N4—C3—H3B 108.9 N4'—C3'—H3'B 109.2
C2—C3—H3B 108.9 C2'—C3'—H3'B 109.2
H3A—C3—H3B 107.8 H3'A—C3'—H3'B 107.9
C5—N4—C6 108.42 (11) C3'—N4'—C6' 110.11 (12)
C5—N4—C3 109.47 (12) C3'—N4'—C5' 112.79 (12)
C6—N4—C3 111.96 (12) C6'—N4'—C5' 108.54 (11)
N4—C5—C6i 111.48 (13) N4'—C5'—C6'ii 110.65 (12)
N4—C5—H5A 109.3 N4'—C5'—H5'A 109.5
C6i—C5—H5A 109.3 C6'ii—C5'—H5'A 109.5
N4—C5—H5B 109.3 N4'—C5'—H5'B 109.5
C6i—C5—H5B 109.3 C6'ii—C5'—H5'B 109.5
H5A—C5—H5B 108.0 H5'A—C5'—H5'B 108.1
N4—C6—C5i 111.13 (12) N4'—C6'—C5'ii 111.14 (12)
N4—C6—H6A 109.4 N4'—C6'—H6'A 109.4
C5i—C6—H6A 109.4 C5'ii—C6'—H6'A 109.4
N4—C6—H6B 109.4 N4'—C6'—H6'B 109.4
C5i—C6—H6B 109.4 C5'ii—C6'—H6'B 109.4
H6A—C6—H6B 108.0 H6'A—C6'—H6'B 108.0
C8—C7—C12 118.90 (13) C12'—C7'—C8' 119.15 (12)
C8—C7—C13 119.50 (13) C12'—C7'—C13' 119.82 (13)
C12—C7—C13 121.57 (12) C8'—C7'—C13' 120.99 (13)
C7—C8—C9 120.39 (16) C9'—C8'—C7' 120.50 (14)
C7—C8—H8 119.8 C9'—C8'—H8' 119.7
C9—C8—H8 119.8 C7'—C8'—H8' 119.7
C10—C9—C8 120.31 (16) C10'—C9'—C8' 119.60 (15)
C10—C9—H9 119.8 C10'—C9'—H9' 120.2
C8—C9—H9 119.8 C8'—C9'—H9' 120.2
C9—C10—C11 119.78 (15) C11'—C10'—C9' 120.50 (14)
C9—C10—H10 120.1 C11'—C10'—H10' 119.7
C11—C10—H10 120.1 C9'—C10'—H10' 119.7
C10—C11—C12 120.04 (16) C10'—C11'—C12' 119.65 (16)
C10—C11—H11 120.0 C10'—C11'—H11' 120.2
C12—C11—H11 120.0 C12'—C11'—H11' 120.2
C11—C12—C7 120.57 (14) C7'—C12'—C11' 120.56 (15)
C11—C12—H12 119.7 C7'—C12'—H12' 119.7
C7—C12—H12 119.7 C11'—C12'—H12' 119.7
O14—C13—O15 123.91 (12) O15'—C13'—O14' 123.96 (12)
O14—C13—C7 118.44 (12) O15'—C13'—C7' 118.02 (12)
O15—C13—C7 117.65 (12) O14'—C13'—C7' 118.01 (12)
N1—C2—C3—N4 −66.32 (18) N1'—C2'—C3'—N4' −56.03 (18)
C2—C3—N4—C5 164.89 (13) C2'—C3'—N4'—C6' 168.40 (13)
C2—C3—N4—C6 −74.84 (16) C2'—C3'—N4'—C5' −70.19 (16)
C6—N4—C5—C6i 57.36 (17) C3'—N4'—C5'—C6'ii 179.90 (11)
C3—N4—C5—C6i 179.76 (12) C6'—N4'—C5'—C6'ii −57.80 (16)
C5—N4—C6—C5i −57.14 (17) C3'—N4'—C6'—C5'ii −177.99 (12)
C3—N4—C6—C5i −178.01 (11) C5'—N4'—C6'—C5'ii 58.10 (16)
C12—C7—C8—C9 −1.1 (2) C12'—C7'—C8'—C9' 1.6 (2)
C13—C7—C8—C9 176.94 (13) C13'—C7'—C8'—C9' −176.24 (13)
C7—C8—C9—C10 1.0 (2) C7'—C8'—C9'—C10' −1.2 (2)
C8—C9—C10—C11 −0.1 (2) C8'—C9'—C10'—C11' −0.3 (2)
C9—C10—C11—C12 −0.8 (2) C9'—C10'—C11'—C12' 1.4 (2)
C10—C11—C12—C7 0.7 (2) C8'—C7'—C12'—C11' −0.5 (2)
C8—C7—C12—C11 0.28 (19) C13'—C7'—C12'—C11' 177.32 (13)
C13—C7—C12—C11 −177.74 (12) C10'—C11'—C12'—C7' −0.9 (2)
C8—C7—C13—O14 7.89 (17) C12'—C7'—C13'—O15' −6.79 (19)
C12—C7—C13—O14 −174.10 (12) C8'—C7'—C13'—O15' 171.02 (13)
C8—C7—C13—O15 −172.22 (12) C12'—C7'—C13'—O14' 172.71 (13)
C12—C7—C13—O15 5.79 (17) C8'—C7'—C13'—O14' −9.48 (19)