N1—C6 | 1.482 (3) | C24—C25 | 1.369 (4) |
N1—C2 | 1.486 (3) | C24—H24 | 0.9300 |
N1—H11 | 0.88 (2) | C25—C26 | 1.391 (3) |
N1—H12 | 0.91 (2) | C25—H25 | 0.9300 |
C2—C3 | 1.510 (3) | C26—H26 | 0.9300 |
C2—H2A | 0.9700 | O22—C27 | 1.409 (3) |
C2—H2B | 0.9700 | C27—H27A | 0.9600 |
C3—N4 | 1.459 (2) | C27—H27B | 0.9600 |
C3—H3A | 0.9700 | C27—H27C | 0.9600 |
C3—H3B | 0.9700 | C31—C32 | 1.381 (3) |
N4—C21 | 1.419 (2) | C31—C36 | 1.387 (3) |
N4—C5 | 1.469 (3) | C31—C37 | 1.508 (3) |
C5—C6 | 1.514 (3) | C32—C33 | 1.386 (3) |
C5—H5A | 0.9700 | C32—H32 | 0.9300 |
C5—H5B | 0.9700 | C33—C34 | 1.379 (3) |
C6—H6A | 0.9700 | C33—H33 | 0.9300 |
C6—H6B | 0.9700 | C34—C35 | 1.378 (3) |
C21—C26 | 1.385 (3) | C34—I34 | 2.098 (2) |
C21—C22 | 1.407 (3) | C35—C36 | 1.379 (3) |
C22—O22 | 1.363 (3) | C35—H35 | 0.9300 |
C22—C23 | 1.387 (3) | C36—H36 | 0.9300 |
C23—C24 | 1.379 (4) | C37—O31 | 1.256 (3) |
C23—H23 | 0.9300 | C37—O32 | 1.256 (2) |
C6—N1—C2 | 111.24 (15) | C24—C23—H23 | 119.9 |
C6—N1—H11 | 108.4 (15) | C22—C23—H23 | 119.9 |
C2—N1—H11 | 108.5 (15) | C25—C24—C23 | 120.2 (2) |
C6—N1—H12 | 106.8 (15) | C25—C24—H24 | 119.9 |
C2—N1—H12 | 110.9 (15) | C23—C24—H24 | 119.9 |
H11—N1—H12 | 111 (2) | C24—C25—C26 | 120.1 (2) |
N1—C2—C3 | 111.04 (16) | C24—C25—H25 | 120.0 |
N1—C2—H2A | 109.4 | C26—C25—H25 | 120.0 |
C3—C2—H2A | 109.4 | C21—C26—C25 | 121.0 (2) |
N1—C2—H2B | 109.4 | C21—C26—H26 | 119.5 |
C3—C2—H2B | 109.4 | C25—C26—H26 | 119.5 |
H2A—C2—H2B | 108.0 | C22—O22—C27 | 119.10 (19) |
N4—C3—C2 | 109.09 (16) | O22—C27—H27A | 109.5 |
N4—C3—H3A | 109.9 | O22—C27—H27B | 109.5 |
C2—C3—H3A | 109.9 | H27A—C27—H27B | 109.5 |
N4—C3—H3B | 109.9 | O22—C27—H27C | 109.5 |
C2—C3—H3B | 109.9 | H27A—C27—H27C | 109.5 |
H3A—C3—H3B | 108.3 | H27B—C27—H27C | 109.5 |
C21—N4—C3 | 117.03 (15) | C32—C31—C36 | 118.49 (19) |
C21—N4—C5 | 114.74 (15) | C32—C31—C37 | 120.99 (18) |
C3—N4—C5 | 109.97 (16) | C36—C31—C37 | 120.52 (18) |
N4—C5—C6 | 109.74 (17) | C31—C32—C33 | 121.39 (19) |
N4—C5—H5A | 109.7 | C31—C32—H32 | 119.3 |
C6—C5—H5A | 109.7 | C33—C32—H32 | 119.3 |
N4—C5—H5B | 109.7 | C34—C33—C32 | 118.95 (19) |
C6—C5—H5B | 109.7 | C34—C33—H33 | 120.5 |
H5A—C5—H5B | 108.2 | C32—C33—H33 | 120.5 |
N1—C6—C5 | 110.39 (17) | C35—C34—C33 | 120.63 (19) |
N1—C6—H6A | 109.6 | C35—C34—I34 | 119.56 (15) |
C5—C6—H6A | 109.6 | C33—C34—I34 | 119.81 (16) |
N1—C6—H6B | 109.6 | C34—C35—C36 | 119.7 (2) |
C5—C6—H6B | 109.6 | C34—C35—H35 | 120.1 |
H6A—C6—H6B | 108.1 | C36—C35—H35 | 120.1 |
C26—C21—C22 | 118.24 (19) | C35—C36—C31 | 120.8 (2) |
C26—C21—N4 | 123.33 (18) | C35—C36—H36 | 119.6 |
C22—C21—N4 | 118.37 (17) | C31—C36—H36 | 119.6 |
O22—C22—C23 | 124.4 (2) | O31—C37—O32 | 125.09 (19) |
O22—C22—C21 | 115.38 (17) | O31—C37—C31 | 117.28 (17) |
C23—C22—C21 | 120.2 (2) | O32—C37—C31 | 117.58 (18) |
C24—C23—C22 | 120.3 (2) | ||
C6—N1—C2—C3 | −54.5 (2) | C22—C21—C26—C25 | 1.6 (3) |
N1—C2—C3—N4 | 58.0 (2) | N4—C21—C26—C25 | −175.6 (2) |
C2—C3—N4—C21 | 164.91 (17) | C24—C25—C26—C21 | −0.1 (4) |
C2—C3—N4—C5 | −61.8 (2) | C23—C22—O22—C27 | 14.5 (4) |
C21—N4—C5—C6 | −163.68 (17) | C21—C22—O22—C27 | −167.1 (2) |
C3—N4—C5—C6 | 61.9 (2) | C36—C31—C32—C33 | 0.6 (3) |
C2—N1—C6—C5 | 53.9 (2) | C37—C31—C32—C33 | −179.05 (19) |
N4—C5—C6—N1 | −57.3 (2) | C31—C32—C33—C34 | 0.2 (3) |
C3—N4—C21—C26 | 18.2 (3) | C32—C33—C34—C35 | −0.5 (3) |
C5—N4—C21—C26 | −112.9 (2) | C32—C33—C34—I34 | 178.83 (15) |
C3—N4—C21—C22 | −159.00 (18) | C33—C34—C35—C36 | 0.0 (4) |
C5—N4—C21—C22 | 69.9 (2) | I34—C34—C35—C36 | −179.37 (18) |
C26—C21—C22—O22 | 179.72 (19) | C34—C35—C36—C31 | 0.9 (4) |
N4—C21—C22—O22 | −2.9 (3) | C32—C31—C36—C35 | −1.1 (3) |
C26—C21—C22—C23 | −1.8 (3) | C37—C31—C36—C35 | 178.5 (2) |
N4—C21—C22—C23 | 175.53 (19) | C32—C31—C37—O31 | 18.7 (3) |
O22—C22—C23—C24 | 178.9 (2) | C36—C31—C37—O31 | −161.0 (2) |
C21—C22—C23—C24 | 0.6 (3) | C32—C31—C37—O32 | −163.71 (19) |
C22—C23—C24—C25 | 1.0 (4) | C36—C31—C37—O32 | 16.7 (3) |
C23—C24—C25—C26 | −1.2 (4) |