Skip to main content
. 2020 Apr 17;76(Pt 5):668–672. doi: 10.1107/S2056989020005071
N1—C2 1.287 (2) S11—C12 1.7896 (19)
N1—C10 1.390 (2) C12—H12A 0.9700
C17Aa—H17A 0.9600 C12—H12B 0.9700
C17Aa—H17B 0.9600 C12—C13 1.502 (3)
C17Aa—H17C 0.9600 C13—O14 1.188 (2)
C17Bb—H17D 0.9600 C13—O15 1.332 (2)
C17Bb—H17E 0.9600 O15—C16 1.456 (3)
C17Bb—H17F 0.9600 C16—H16A 0.9700
C2—N3 1.384 (2) C16—H16B 0.9700
C2—S11 1.7541 (17) C16—H16C 0.9700
N3—C4 1.402 (2) C16—H16D 0.9700
N3—C18 1.4550 (19) C16—C17A 1.363 (8)
C4—C5 1.455 (2) C16—C17B 1.361 (9)
C4—O23 1.219 (2) C18—C19 1.360 (2)
C5—C6 1.400 (2) C18—C23 1.362 (3)
C5—C10 1.393 (2) C19—H19 0.9300
C6—H6 0.9300 C19—C20 1.393 (3)
C6—C7 1.363 (3) C20—H20 0.9300
C7—H7 0.9300 C20—C21 1.346 (3)
C7—C8 1.383 (3) C21—H21 0.9300
C8—H8 0.9300 C21—C22 1.356 (3)
C8—C9 1.370 (3) C22—H22 0.9300
C9—H9 0.9300 C22—C23 1.382 (3)
C9—C10 1.397 (2) C23—H23 0.9300
C2—N1—C10 117.28 (15) H16Aa—C16—H16B 108.2
N1—C2—N3 124.99 (15) C17Bb—C16—H16C 108.8
N1—C2—S11 120.31 (13) C17Bb—C16—H16D 108.8
H17Aa—C17Aa—H17B 109.5 H16Cb—C16—H16D 107.7
H17Aa—C17Aa—H17C 109.5 H12A—C12—H12B 107.7
N3—C2—S11 114.70 (11) C13—C12—S11 113.59 (13)
C2—N3—C4 121.38 (13) C13—C12—H12A 108.8
C2—N3—C18 121.27 (13) C13—C12—H12B 108.8
C4—N3—C18 117.26 (13) O14—C13—C12 126.89 (19)
N3—C4—C5 114.37 (14) O14—C13—O15 124.07 (19)
O23—C4—N3 120.51 (15) O15—C13—C12 109.01 (17)
H17Ba—C17Aa—H17C 109.5 C13—O15—C16 115.9 (2)
H17Db—C17Bb—H17E 109.5 O15—C16—H16A 109.8
H17Db—C17Bb—H17F 109.5 O15—C16—H16B 109.8
H17Eb—C17Bb—H17F 109.5 O15—C16—H16C 108.8
O23—C4—C5 125.12 (16) O15—C16—H16D 108.8
C6—C5—C4 120.27 (16) C16—C17Aa—H17A 109.5
C10—C5—C4 119.46 (15) C19—C18—N3 120.65 (16)
C10—C5—C6 120.27 (16) C16—C17Aa—H17B 109.5
C5—C6—H6 120.0 C19—C18—C23 120.39 (17)
C7—C6—C5 120.09 (19) C23—C18—N3 118.92 (15)
C7—C6—H6 120.0 C16—C17Aa—H17C 109.5
C6—C7—H7 120.2 C16—C17Bb—H17D 109.5
C6—C7—C8 119.64 (19) C18—C19—H19 120.4
C8—C7—H7 120.2 C18—C19—C20 119.14 (19)
C7—C8—H8 119.3 C16—C17Bb—H17E 109.5
C9—C8—C7 121.39 (19) C16—C17Bb—H17F 109.5
C9—C8—H8 119.3 C20—C19—H19 120.4
C8—C9—H9 120.1 C19—C20—H20 119.6
C8—C9—C10 119.9 (2) C21—C20—C19 120.9 (2)
C10—C9—H9 120.1 C21—C20—H20 119.6
N1—C10—C5 122.43 (15) C20—C21—H21 120.3
N1—C10—C9 118.83 (17) C20—C21—C22 119.37 (19)
C17Aa—C16—O15 109.5 (5) C22—C21—H21 120.3
C5—C10—C9 118.73 (17) C21—C22—H22 119.5
C2—S11—C12 99.06 (8) C21—C22—C23 121.0 (2)
C17Bb—C16—O15 113.9 (5) C23—C22—H22 119.5
S11—C12—H12A 108.8 C18—C23—C22 119.24 (19)
C17Aa—C16—H16A 109.8 C18—C23—H23 120.4
S11—C12—H12B 108.8 C22—C23—H23 120.4
C17Aa—C16—H16B 109.8
N1—C2—N3—C4 −0.6 (3) C7—C8—C9—C10 0.0 (4)
N1—C2—N3—C18 176.02 (16) C8—C9—C10—N1 178.3 (2)
N1—C2—S11—C12 0.18 (17) C8—C9—C10—C5 −1.0 (3)
C2—N1—C10—C5 0.7 (3) C10—N1—C2—N3 −1.3 (3)
C2—N1—C10—C9 −178.59 (18) C10—N1—C2—S11 178.30 (13)
C2—N3—C4—C5 2.9 (2) C10—C5—C6—C7 −1.1 (3)
C2—N3—C4—O23 −176.56 (16) S11—C2—N3—C4 179.77 (12)
C2—N3—C18—C19 97.9 (2) S11—C2—N3—C18 −3.6 (2)
C2—N3—C18—C23 −84.4 (2) S11—C12—C13—O14 −19.1 (3)
C2—S11—C12—C13 −68.94 (15) S11—C12—C13—O15 162.70 (14)
N3—C2—S11—C12 179.82 (13) C12—C13—O15—C16 176.3 (3)
N3—C4—C5—C6 176.06 (15) O14—C13—O15—C16 −1.9 (4)
N3—C4—C5—C10 −3.3 (2) C13—O15—C16—C17Bb 161.5 (9)
N3—C18—C19—C20 177.27 (18) C13—O15—C16—C17Aa 97.7 (7)
N3—C18—C23—C22 −177.5 (2) C18—N3—C4—C5 −173.88 (14)
C4—N3—C18—C19 −85.4 (2) C18—N3—C4—O23 6.7 (2)
C4—N3—C18—C23 92.4 (2) C18—C19—C20—C21 −0.4 (4)
C4—C5—C6—C7 179.52 (18) C19—C18—C23—C22 0.3 (4)
C4—C5—C10—N1 1.7 (3) C19—C20—C21—C22 1.5 (4)
C4—C5—C10—C9 −179.01 (18) C20—C21—C22—C23 −1.7 (5)
C5—C6—C7—C8 0.0 (3) C21—C22—C23—C18 0.8 (5)
C6—C5—C10—N1 −177.70 (16) O23—C4—C5—C6 −4.5 (3)
C6—C5—C10—C9 1.6 (3) O23—C4—C5—C10 176.07 (17)
C6—C7—C8—C9 0.6 (4) C23—C18—C19—C20 −0.5 (3)