Skip to main content
. 2013 Apr 10;69(Pt 5):o694. doi: 10.1107/S1600536813009227
Br1—C1 1.878 (4) C9—C10 1.390 (4)
Br1A—C1 1.924 (9) C10—C11 1.362 (4)
S1—O2 1.4435 (19) C10—H10 0.9300
S1—O3 1.445 (2) C11—H11 0.9300
S1—O1 1.4458 (19) C12—C13 1.352 (4)
S1—C15 1.767 (3) C12—H12 0.9300
N1—C12 1.335 (3) C13—H13 0.9300
N1—C11 1.337 (3) C14—H14A 0.9600
N1—C14 1.471 (3) C14—H14B 0.9600
C1—C2 1.348 (4) C14—H14C 0.9600
C1—C6 1.361 (4) C15—C20 1.376 (4)
C2—C3 1.374 (4) C15—C16 1.387 (3)
C2—H2 0.9300 C16—C17 1.375 (4)
C3—C4 1.383 (4) C16—H16 0.9300
C3—H3 0.9300 C17—C18 1.382 (4)
C4—C5 1.376 (4) C17—H17 0.9300
C4—C7 1.466 (4) C18—C19 1.371 (4)
C5—C6 1.372 (4) C18—C21 1.510 (5)
C5—H5 0.9300 C19—C20 1.372 (4)
C6—H6 0.9300 C19—H19 0.9300
C7—C8 1.304 (4) C20—H20 0.9300
C7—H7 0.9300 C21—H21A 0.9600
C8—C9 1.468 (4) C21—H21B 0.9600
C8—H8 0.9300 C21—H21C 0.9600
C9—C13 1.380 (4)
O2—S1—O3 113.31 (13) C9—C10—H10 119.5
O2—S1—O1 112.63 (12) N1—C11—C10 120.5 (2)
O3—S1—O1 113.60 (13) N1—C11—H11 119.8
O2—S1—C15 105.49 (12) C10—C11—H11 119.8
O3—S1—C15 106.03 (12) N1—C12—C13 120.9 (3)
O1—S1—C15 104.81 (11) N1—C12—H12 119.6
C12—N1—C11 120.1 (2) C13—C12—H12 119.6
C12—N1—C14 120.3 (2) C12—C13—C9 121.5 (3)
C11—N1—C14 119.6 (2) C12—C13—H13 119.2
C2—C1—C6 120.6 (3) C9—C13—H13 119.2
C2—C1—Br1 122.0 (3) N1—C14—H14A 109.5
C6—C1—Br1 117.4 (3) N1—C14—H14B 109.5
C2—C1—Br1A 109.9 (10) H14A—C14—H14B 109.5
C6—C1—Br1A 129.5 (10) N1—C14—H14C 109.5
C1—C2—C3 119.5 (3) H14A—C14—H14C 109.5
C1—C2—H2 120.2 H14B—C14—H14C 109.5
C3—C2—H2 120.2 C20—C15—C16 118.5 (3)
C2—C3—C4 122.0 (3) C20—C15—S1 120.5 (2)
C2—C3—H3 119.0 C16—C15—S1 120.9 (2)
C4—C3—H3 119.0 C17—C16—C15 119.5 (3)
C5—C4—C3 116.5 (3) C17—C16—H16 120.2
C5—C4—C7 123.9 (3) C15—C16—H16 120.2
C3—C4—C7 119.6 (2) C16—C17—C18 122.4 (3)
C6—C5—C4 121.9 (3) C16—C17—H17 118.8
C6—C5—H5 119.1 C18—C17—H17 118.8
C4—C5—H5 119.1 C19—C18—C17 116.9 (3)
C1—C6—C5 119.6 (3) C19—C18—C21 122.7 (3)
C1—C6—H6 120.2 C17—C18—C21 120.4 (3)
C5—C6—H6 120.2 C18—C19—C20 121.8 (3)
C8—C7—C4 125.7 (3) C18—C19—H19 119.1
C8—C7—H7 117.1 C20—C19—H19 119.1
C4—C7—H7 117.1 C19—C20—C15 120.8 (3)
C7—C8—C9 125.9 (3) C19—C20—H20 119.6
C7—C8—H8 117.1 C15—C20—H20 119.6
C9—C8—H8 117.1 C18—C21—H21A 109.5
C13—C9—C10 116.0 (3) C18—C21—H21B 109.5
C13—C9—C8 119.2 (2) H21A—C21—H21B 109.5
C10—C9—C8 124.9 (2) C18—C21—H21C 109.5
C11—C10—C9 121.1 (2) H21A—C21—H21C 109.5
C11—C10—H10 119.5 H21B—C21—H21C 109.5
C6—C1—C2—C3 0.2 (5) C11—N1—C12—C13 0.7 (4)
Br1—C1—C2—C3 −179.6 (3) C14—N1—C12—C13 178.3 (3)
Br1A—C1—C2—C3 −178.3 (3) N1—C12—C13—C9 −0.1 (5)
C1—C2—C3—C4 0.2 (5) C10—C9—C13—C12 −0.9 (4)
C2—C3—C4—C5 −0.5 (5) C8—C9—C13—C12 178.0 (3)
C2—C3—C4—C7 179.3 (3) O2—S1—C15—C20 −117.6 (2)
C3—C4—C5—C6 0.4 (5) O3—S1—C15—C20 2.8 (2)
C7—C4—C5—C6 −179.4 (3) O1—S1—C15—C20 123.3 (2)
C2—C1—C6—C5 −0.3 (5) O2—S1—C15—C16 62.9 (2)
Br1—C1—C6—C5 179.5 (3) O3—S1—C15—C16 −176.7 (2)
Br1A—C1—C6—C5 177.8 (4) O1—S1—C15—C16 −56.2 (2)
C4—C5—C6—C1 0.0 (6) C20—C15—C16—C17 0.2 (4)
C5—C4—C7—C8 −7.5 (5) S1—C15—C16—C17 179.7 (2)
C3—C4—C7—C8 172.8 (3) C15—C16—C17—C18 −0.5 (5)
C4—C7—C8—C9 178.1 (3) C16—C17—C18—C19 0.2 (5)
C7—C8—C9—C13 −178.3 (3) C16—C17—C18—C21 −178.7 (3)
C7—C8—C9—C10 0.5 (5) C17—C18—C19—C20 0.5 (5)
C13—C9—C10—C11 1.3 (4) C21—C18—C19—C20 179.3 (3)
C8—C9—C10—C11 −177.5 (3) C18—C19—C20—C15 −0.8 (5)
C12—N1—C11—C10 −0.3 (4) C16—C15—C20—C19 0.5 (4)
C14—N1—C11—C10 −177.9 (3) S1—C15—C20—C19 −179.1 (2)
C9—C10—C11—N1 −0.8 (4)