Br1—C20 | 1.909 (3) | C9—H9A | 0.9300 |
S1—O3 | 1.450 (3) | C10—C11 | 1.409 (5) |
S1—O1 | 1.451 (2) | C10—H10A | 0.9300 |
S1—O2 | 1.455 (2) | C11—C12 | 1.413 (5) |
S1—C17 | 1.784 (3) | C12—C13 | 1.380 (4) |
N1—C3 | 1.349 (4) | C12—H12A | 0.9300 |
N1—C2 | 1.355 (4) | C13—H13A | 0.9300 |
N1—C14 | 1.466 (4) | C14—H14A | 0.9600 |
N2—C11 | 1.367 (4) | C14—H14B | 0.9600 |
N2—C16 | 1.451 (4) | C14—H14C | 0.9600 |
N2—C15 | 1.455 (5) | C15—H15A | 0.9600 |
C1—C2 | 1.367 (5) | C15—H15B | 0.9600 |
C1—C5 | 1.405 (5) | C15—H15C | 0.9600 |
C1—H1A | 0.9300 | C16—H16A | 0.9600 |
C2—H2A | 0.9300 | C16—H16B | 0.9600 |
C3—C4 | 1.363 (4) | C16—H16C | 0.9600 |
C3—H3A | 0.9300 | C17—C18 | 1.392 (4) |
C4—C5 | 1.393 (5) | C17—C22 | 1.393 (4) |
C4—H4A | 0.9300 | C18—C19 | 1.378 (4) |
C5—C6 | 1.461 (4) | C18—H18A | 0.9300 |
C6—C7 | 1.342 (5) | C19—C20 | 1.382 (5) |
C6—H6A | 0.9300 | C19—H19A | 0.9300 |
C7—C8 | 1.455 (4) | C20—C21 | 1.387 (5) |
C7—H7A | 0.9300 | C21—C22 | 1.396 (4) |
C8—C9 | 1.393 (5) | C21—H21A | 0.9300 |
C8—C13 | 1.402 (5) | C22—H22A | 0.9300 |
C9—C10 | 1.391 (4) | ||
O3—S1—O1 | 113.63 (15) | C10—C11—C12 | 117.7 (3) |
O3—S1—O2 | 112.50 (15) | C13—C12—C11 | 121.0 (3) |
O1—S1—O2 | 113.53 (14) | C13—C12—H12A | 119.5 |
O3—S1—C17 | 104.72 (14) | C11—C12—H12A | 119.5 |
O1—S1—C17 | 106.37 (13) | C12—C13—C8 | 121.6 (3) |
O2—S1—C17 | 105.09 (15) | C12—C13—H13A | 119.2 |
C3—N1—C2 | 119.8 (3) | C8—C13—H13A | 119.2 |
C3—N1—C14 | 120.8 (3) | N1—C14—H14A | 109.5 |
C2—N1—C14 | 119.4 (3) | N1—C14—H14B | 109.5 |
C11—N2—C16 | 120.8 (3) | H14A—C14—H14B | 109.5 |
C11—N2—C15 | 120.8 (3) | N1—C14—H14C | 109.5 |
C16—N2—C15 | 118.3 (3) | H14A—C14—H14C | 109.5 |
C2—C1—C5 | 120.8 (3) | H14B—C14—H14C | 109.5 |
C2—C1—H1A | 119.6 | N2—C15—H15A | 109.5 |
C5—C1—H1A | 119.6 | N2—C15—H15B | 109.5 |
N1—C2—C1 | 120.5 (3) | H15A—C15—H15B | 109.5 |
N1—C2—H2A | 119.7 | N2—C15—H15C | 109.5 |
C1—C2—H2A | 119.7 | H15A—C15—H15C | 109.5 |
N1—C3—C4 | 121.6 (3) | H15B—C15—H15C | 109.5 |
N1—C3—H3A | 119.2 | N2—C16—H16A | 109.5 |
C4—C3—H3A | 119.2 | N2—C16—H16B | 109.5 |
C3—C4—C5 | 120.3 (3) | H16A—C16—H16B | 109.5 |
C3—C4—H4A | 119.8 | N2—C16—H16C | 109.5 |
C5—C4—H4A | 119.8 | H16A—C16—H16C | 109.5 |
C4—C5—C1 | 117.0 (3) | H16B—C16—H16C | 109.5 |
C4—C5—C6 | 124.4 (3) | C18—C17—C22 | 119.2 (3) |
C1—C5—C6 | 118.6 (3) | C18—C17—S1 | 119.4 (2) |
C7—C6—C5 | 123.9 (3) | C22—C17—S1 | 121.4 (2) |
C7—C6—H6A | 118.1 | C19—C18—C17 | 121.0 (3) |
C5—C6—H6A | 118.1 | C19—C18—H18A | 119.5 |
C6—C7—C8 | 125.4 (3) | C17—C18—H18A | 119.5 |
C6—C7—H7A | 117.3 | C18—C19—C20 | 119.0 (3) |
C8—C7—H7A | 117.3 | C18—C19—H19A | 120.5 |
C9—C8—C13 | 117.2 (3) | C20—C19—H19A | 120.5 |
C9—C8—C7 | 118.8 (3) | C19—C20—C21 | 121.8 (3) |
C13—C8—C7 | 124.0 (3) | C19—C20—Br1 | 119.0 (2) |
C10—C9—C8 | 122.4 (3) | C21—C20—Br1 | 119.1 (2) |
C10—C9—H9A | 118.8 | C20—C21—C22 | 118.5 (3) |
C8—C9—H9A | 118.8 | C20—C21—H21A | 120.8 |
C9—C10—C11 | 120.0 (3) | C22—C21—H21A | 120.8 |
C9—C10—H10A | 120.0 | C17—C22—C21 | 120.5 (3) |
C11—C10—H10A | 120.0 | C17—C22—H22A | 119.7 |
N2—C11—C10 | 120.7 (3) | C21—C22—H22A | 119.7 |
N2—C11—C12 | 121.6 (3) | ||
C3—N1—C2—C1 | 0.7 (5) | C9—C10—C11—C12 | −0.5 (4) |
C14—N1—C2—C1 | −177.9 (3) | N2—C11—C12—C13 | 177.9 (3) |
C5—C1—C2—N1 | 0.0 (5) | C10—C11—C12—C13 | −0.8 (5) |
C2—N1—C3—C4 | −0.7 (5) | C11—C12—C13—C8 | 0.9 (5) |
C14—N1—C3—C4 | 177.9 (3) | C9—C8—C13—C12 | 0.3 (5) |
N1—C3—C4—C5 | 0.0 (5) | C7—C8—C13—C12 | −179.9 (3) |
C3—C4—C5—C1 | 0.7 (4) | O3—S1—C17—C18 | −61.5 (3) |
C3—C4—C5—C6 | 179.1 (3) | O1—S1—C17—C18 | 177.9 (3) |
C2—C1—C5—C4 | −0.7 (5) | O2—S1—C17—C18 | 57.2 (3) |
C2—C1—C5—C6 | −179.2 (3) | O3—S1—C17—C22 | 117.4 (3) |
C4—C5—C6—C7 | 1.0 (5) | O1—S1—C17—C22 | −3.2 (3) |
C1—C5—C6—C7 | 179.4 (3) | O2—S1—C17—C22 | −123.8 (3) |
C5—C6—C7—C8 | −179.5 (3) | C22—C17—C18—C19 | −1.0 (5) |
C6—C7—C8—C9 | −177.8 (3) | S1—C17—C18—C19 | 178.0 (3) |
C6—C7—C8—C13 | 2.4 (5) | C17—C18—C19—C20 | 1.5 (5) |
C13—C8—C9—C10 | −1.7 (5) | C18—C19—C20—C21 | −1.1 (5) |
C7—C8—C9—C10 | 178.5 (3) | C18—C19—C20—Br1 | 179.5 (3) |
C8—C9—C10—C11 | 1.8 (5) | C19—C20—C21—C22 | 0.2 (5) |
C16—N2—C11—C10 | −179.9 (3) | Br1—C20—C21—C22 | 179.6 (3) |
C15—N2—C11—C10 | 2.3 (5) | C18—C17—C22—C21 | 0.1 (5) |
C16—N2—C11—C12 | 1.5 (5) | S1—C17—C22—C21 | −178.9 (3) |
C15—N2—C11—C12 | −176.4 (3) | C20—C21—C22—C17 | 0.4 (5) |
C9—C10—C11—N2 | −179.2 (3) |