F1—C5 | 1.3641 (16) | C4—C5 | 1.389 (2) |
O1—C1 | 1.2220 (17) | C4—H4 | 0.9500 |
N1—C1 | 1.3525 (19) | C5—C6 | 1.375 (2) |
N1—C8 | 1.4117 (18) | C6—C7 | 1.395 (2) |
N1—C9 | 1.4570 (18) | C6—H6 | 0.9500 |
C1—C2 | 1.5539 (19) | C7—C8 | 1.383 (2) |
O2—C2 | 1.4168 (16) | C7—H7 | 0.9500 |
O2—H2 | 0.8400 | C9—H9A | 0.9800 |
N2—C11 | 1.3606 (18) | C9—H9B | 0.9800 |
N2—C12 | 1.3615 (18) | C9—H9C | 0.9800 |
C2—C3 | 1.5175 (19) | C10—C11 | 1.5270 (19) |
C2—C10 | 1.546 (2) | C10—H10 | 1.0000 |
O3—C11 | 1.2318 (17) | C13—H13A | 0.9800 |
N3—C12 | 1.3214 (19) | C13—H13B | 0.9800 |
N3—H3A | 0.8800 | C13—H13C | 0.9800 |
N3—H3B | 0.8800 | O1S—C1S | 1.288 (10) |
C3—C4 | 1.386 (2) | O1S—H1S4 | 0.8400 |
C3—C8 | 1.395 (2) | C1S—H1S1 | 0.9800 |
N4—C12 | 1.3401 (19) | C1S—H2S1 | 0.9800 |
N4—C13 | 1.4543 (18) | C1S—H3S1 | 0.9800 |
N4—C10 | 1.4544 (17) | ||
C1—N1—C8 | 111.10 (12) | C7—C8—C3 | 122.81 (13) |
C1—N1—C9 | 123.91 (12) | C7—C8—N1 | 127.11 (13) |
C8—N1—C9 | 124.85 (12) | C3—C8—N1 | 110.08 (12) |
O1—C1—N1 | 125.61 (13) | N1—C9—H9A | 109.5 |
O1—C1—C2 | 125.69 (13) | N1—C9—H9B | 109.5 |
N1—C1—C2 | 108.59 (11) | H9A—C9—H9B | 109.5 |
C2—O2—H2 | 109.5 | N1—C9—H9C | 109.5 |
C11—N2—C12 | 105.90 (12) | H9A—C9—H9C | 109.5 |
O2—C2—C3 | 109.77 (11) | H9B—C9—H9C | 109.5 |
O2—C2—C10 | 110.25 (11) | N4—C10—C11 | 100.60 (11) |
C3—C2—C10 | 115.20 (11) | N4—C10—C2 | 111.45 (11) |
O2—C2—C1 | 108.60 (11) | C11—C10—C2 | 111.49 (11) |
C3—C2—C1 | 101.49 (11) | N4—C10—H10 | 111.0 |
C10—C2—C1 | 111.09 (11) | C11—C10—H10 | 111.0 |
C12—N3—H3A | 120.0 | C2—C10—H10 | 111.0 |
C12—N3—H3B | 120.0 | O3—C11—N2 | 126.72 (13) |
H3A—N3—H3B | 120.0 | O3—C11—C10 | 123.14 (13) |
C4—C3—C8 | 119.69 (13) | N2—C11—C10 | 110.09 (11) |
C4—C3—C2 | 131.87 (13) | N3—C12—N4 | 122.26 (13) |
C8—C3—C2 | 108.42 (12) | N3—C12—N2 | 123.14 (13) |
C12—N4—C13 | 124.37 (12) | N4—C12—N2 | 114.60 (12) |
C12—N4—C10 | 108.28 (11) | N4—C13—H13A | 109.5 |
C13—N4—C10 | 126.78 (11) | N4—C13—H13B | 109.5 |
C3—C4—C5 | 116.85 (13) | H13A—C13—H13B | 109.5 |
C3—C4—H4 | 121.6 | N4—C13—H13C | 109.5 |
C5—C4—H4 | 121.6 | H13A—C13—H13C | 109.5 |
F1—C5—C6 | 118.00 (13) | H13B—C13—H13C | 109.5 |
F1—C5—C4 | 118.03 (12) | C1S—O1S—H1S4 | 109.5 |
C6—C5—C4 | 123.97 (13) | O1S—C1S—H1S1 | 109.5 |
C5—C6—C7 | 119.17 (13) | O1S—C1S—H2S1 | 109.5 |
C5—C6—H6 | 120.4 | H1S1—C1S—H2S1 | 109.5 |
C7—C6—H6 | 120.4 | O1S—C1S—H3S1 | 109.5 |
C8—C7—C6 | 117.51 (13) | H1S1—C1S—H3S1 | 109.5 |
C8—C7—H7 | 121.2 | H2S1—C1S—H3S1 | 109.5 |
C6—C7—H7 | 121.2 | ||
C8—N1—C1—O1 | −179.11 (13) | C2—C3—C8—N1 | −2.46 (15) |
C9—N1—C1—O1 | 5.0 (2) | C1—N1—C8—C7 | 178.43 (14) |
C8—N1—C1—C2 | 4.55 (15) | C9—N1—C8—C7 | −5.7 (2) |
C9—N1—C1—C2 | −171.35 (12) | C1—N1—C8—C3 | −1.40 (16) |
O1—C1—C2—O2 | −66.31 (17) | C9—N1—C8—C3 | 174.45 (13) |
N1—C1—C2—O2 | 110.02 (12) | C12—N4—C10—C11 | 6.11 (14) |
O1—C1—C2—C3 | 178.05 (13) | C13—N4—C10—C11 | −165.51 (13) |
N1—C1—C2—C3 | −5.62 (14) | C12—N4—C10—C2 | −112.18 (13) |
O1—C1—C2—C10 | 55.09 (18) | C13—N4—C10—C2 | 76.20 (17) |
N1—C1—C2—C10 | −128.58 (12) | O2—C2—C10—N4 | −60.19 (14) |
O2—C2—C3—C4 | 68.20 (19) | C3—C2—C10—N4 | 64.70 (15) |
C10—C2—C3—C4 | −56.9 (2) | C1—C2—C10—N4 | 179.38 (11) |
C1—C2—C3—C4 | −177.03 (14) | O2—C2—C10—C11 | −171.72 (10) |
O2—C2—C3—C8 | −110.02 (13) | C3—C2—C10—C11 | −46.83 (16) |
C10—C2—C3—C8 | 124.84 (13) | C1—C2—C10—C11 | 67.85 (14) |
C1—C2—C3—C8 | 4.74 (14) | C12—N2—C11—O3 | −176.78 (14) |
C8—C3—C4—C5 | 0.7 (2) | C12—N2—C11—C10 | 5.73 (15) |
C2—C3—C4—C5 | −177.33 (13) | N4—C10—C11—O3 | 175.06 (13) |
C3—C4—C5—F1 | −179.53 (12) | C2—C10—C11—O3 | −66.68 (17) |
C3—C4—C5—C6 | −0.1 (2) | N4—C10—C11—N2 | −7.34 (14) |
F1—C5—C6—C7 | 178.89 (12) | C2—C10—C11—N2 | 110.92 (13) |
C4—C5—C6—C7 | −0.6 (2) | C13—N4—C12—N3 | −10.8 (2) |
C5—C6—C7—C8 | 0.5 (2) | C10—N4—C12—N3 | 177.36 (13) |
C6—C7—C8—C3 | 0.1 (2) | C13—N4—C12—N2 | 168.57 (12) |
C6—C7—C8—N1 | −179.68 (13) | C10—N4—C12—N2 | −3.30 (16) |
C4—C3—C8—C7 | −0.8 (2) | C11—N2—C12—N3 | 177.68 (13) |
C2—C3—C8—C7 | 177.70 (13) | C11—N2—C12—N4 | −1.65 (16) |
C4—C3—C8—N1 | 179.06 (12) |