N1—C2 | 1.337 (5) | C51—C56 | 1.386 (6) |
N1—C6 | 1.319 (6) | C52—C53 | 1.374 (6) |
N4—C3 | 1.340 (5) | C53—C54 | 1.376 (7) |
N4—C5 | 1.336 (5) | C54—C55 | 1.378 (7) |
C2—C3 | 1.421 (6) | C55—C56 | 1.370 (7) |
C2—C21 | 1.475 (6) | C6—H6 | 0.9300 |
C3—C31 | 1.476 (5) | C22—H22 | 0.9300 |
C5—C6 | 1.395 (6) | C23—H23 | 0.9300 |
C5—C51 | 1.476 (6) | C24—H24 | 0.9300 |
C21—C22 | 1.389 (6) | C25—H25 | 0.9300 |
C21—C26 | 1.372 (6) | C26—H26 | 0.9300 |
C22—C23 | 1.379 (6) | C32—H32 | 0.9300 |
C23—C24 | 1.380 (7) | C33—H33 | 0.9300 |
C24—C25 | 1.375 (7) | C34—H34 | 0.9300 |
C25—C26 | 1.384 (7) | C35—H35 | 0.9300 |
C31—C32 | 1.386 (6) | C36—H36 | 0.9300 |
C31—C36 | 1.383 (5) | C52—H52 | 0.9300 |
C32—C33 | 1.379 (7) | C53—H53 | 0.9300 |
C33—C34 | 1.371 (7) | C54—H54 | 0.9300 |
C34—C35 | 1.370 (7) | C55—H55 | 0.9300 |
C35—C36 | 1.375 (6) | C56—H56 | 0.9300 |
C51—C52 | 1.392 (6) | ||
N1···N4 | 2.768 (4) | C34···H54viii | 3.0900 |
N4···N1 | 2.768 (4) | C35···H54viii | 2.9000 |
N1···H22 | 2.6600 | C35···H56v | 3.0600 |
N1···H35i | 2.8800 | C51···H22ii | 3.0200 |
N4···H36 | 2.8000 | C52···H23vii | 3.0000 |
N4···H52 | 2.4700 | C56···H6 | 2.6700 |
C5···C22ii | 3.441 (6) | H6···C56 | 2.6700 |
C6···C34iii | 3.587 (7) | H6···H56 | 2.1100 |
C6···C54iv | 3.366 (7) | H22···N1 | 2.6600 |
C21···C32 | 3.253 (6) | H22···C5iv | 2.8300 |
C22···C5iv | 3.441 (6) | H22···C51iv | 3.0200 |
C26···C32 | 3.405 (7) | H23···C52ix | 3.0000 |
C26···C31 | 3.181 (7) | H25···C33ix | 3.0900 |
C31···C26 | 3.181 (7) | H26···C3 | 2.8900 |
C32···C26 | 3.405 (7) | H26···C31 | 2.8000 |
C32···C21 | 3.253 (6) | H32···C2 | 2.9300 |
C34···C6v | 3.587 (7) | H32···C21 | 2.9300 |
C35···C56v | 3.576 (7) | H32···H52iv | 2.5800 |
C54···C6ii | 3.366 (7) | H35···N1x | 2.8800 |
C56···C35iii | 3.576 (7) | H36···N4 | 2.8000 |
C2···H32 | 2.9300 | H52···N4 | 2.4700 |
C3···H26 | 2.8900 | H52···H32ii | 2.5800 |
C5···H22ii | 2.8300 | H54···C34xi | 3.0900 |
C6···H56 | 2.6600 | H54···C35xi | 2.9000 |
C21···H32 | 2.9300 | H55···C24xii | 3.0000 |
C24···H55vi | 3.0000 | H56···C6 | 2.6600 |
C31···H26 | 2.8000 | H56···H6 | 2.1100 |
C33···H25vii | 3.0900 | H56···C35iii | 3.0600 |
C2—N1—C6 | 118.2 (4) | C54—C55—C56 | 120.1 (5) |
C3—N4—C5 | 118.8 (3) | C51—C56—C55 | 121.8 (4) |
N1—C2—C3 | 119.9 (3) | N1—C6—H6 | 119.00 |
N1—C2—C21 | 116.6 (3) | C5—C6—H6 | 119.00 |
C3—C2—C21 | 123.5 (3) | C21—C22—H22 | 120.00 |
N4—C3—C2 | 120.3 (3) | C23—C22—H22 | 120.00 |
N4—C3—C31 | 115.8 (4) | C22—C23—H23 | 120.00 |
C2—C3—C31 | 123.8 (3) | C24—C23—H23 | 120.00 |
N4—C5—C6 | 119.6 (4) | C23—C24—H24 | 120.00 |
N4—C5—C51 | 118.0 (3) | C25—C24—H24 | 120.00 |
C6—C5—C51 | 122.5 (3) | C24—C25—H25 | 120.00 |
N1—C6—C5 | 122.5 (4) | C26—C25—H25 | 120.00 |
C2—C21—C22 | 119.0 (3) | C21—C26—H26 | 119.00 |
C2—C21—C26 | 122.3 (4) | C25—C26—H26 | 119.00 |
C22—C21—C26 | 118.6 (4) | C31—C32—H32 | 119.00 |
C21—C22—C23 | 120.3 (4) | C33—C32—H32 | 120.00 |
C22—C23—C24 | 120.2 (4) | C32—C33—H33 | 120.00 |
C23—C24—C25 | 120.1 (4) | C34—C33—H33 | 120.00 |
C24—C25—C26 | 119.1 (5) | C33—C34—H34 | 120.00 |
C21—C26—C25 | 121.7 (4) | C35—C34—H34 | 120.00 |
C3—C31—C32 | 121.0 (4) | C34—C35—H35 | 120.00 |
C3—C31—C36 | 120.6 (4) | C36—C35—H35 | 120.00 |
C32—C31—C36 | 118.4 (4) | C31—C36—H36 | 120.00 |
C31—C32—C33 | 120.9 (4) | C35—C36—H36 | 120.00 |
C32—C33—C34 | 119.9 (4) | C51—C52—H52 | 120.00 |
C33—C34—C35 | 119.7 (5) | C53—C52—H52 | 120.00 |
C34—C35—C36 | 120.8 (4) | C52—C53—H53 | 120.00 |
C31—C36—C35 | 120.3 (4) | C54—C53—H53 | 120.00 |
C5—C51—C52 | 119.8 (3) | C53—C54—H54 | 120.00 |
C5—C51—C56 | 122.5 (4) | C55—C54—H54 | 120.00 |
C52—C51—C56 | 117.6 (4) | C54—C55—H55 | 120.00 |
C51—C52—C53 | 120.7 (4) | C56—C55—H55 | 120.00 |
C52—C53—C54 | 120.8 (4) | C51—C56—H56 | 119.00 |
C53—C54—C55 | 119.1 (5) | C55—C56—H56 | 119.00 |
C6—N1—C2—C3 | −4.3 (6) | C2—C21—C22—C23 | −177.5 (4) |
C6—N1—C2—C21 | 173.4 (4) | C26—C21—C22—C23 | −0.9 (7) |
C2—N1—C6—C5 | −3.9 (6) | C2—C21—C26—C25 | 176.3 (4) |
C5—N4—C3—C2 | −4.0 (6) | C22—C21—C26—C25 | −0.2 (7) |
C5—N4—C3—C31 | 172.3 (4) | C21—C22—C23—C24 | 1.4 (7) |
C3—N4—C5—C6 | −4.0 (6) | C22—C23—C24—C25 | −0.8 (7) |
C3—N4—C5—C51 | 176.9 (4) | C23—C24—C25—C26 | −0.3 (7) |
N1—C2—C3—N4 | 8.5 (6) | C24—C25—C26—C21 | 0.8 (7) |
N1—C2—C3—C31 | −167.5 (4) | C3—C31—C32—C33 | 174.6 (4) |
C21—C2—C3—N4 | −169.0 (4) | C36—C31—C32—C33 | −2.6 (7) |
C21—C2—C3—C31 | 15.0 (6) | C3—C31—C36—C35 | −176.4 (4) |
N1—C2—C21—C22 | 42.2 (6) | C32—C31—C36—C35 | 0.8 (7) |
N1—C2—C21—C26 | −134.2 (4) | C31—C32—C33—C34 | 2.8 (7) |
C3—C2—C21—C22 | −140.2 (4) | C32—C33—C34—C35 | −1.3 (7) |
C3—C2—C21—C26 | 43.4 (6) | C33—C34—C35—C36 | −0.5 (7) |
N4—C3—C31—C32 | −126.1 (4) | C34—C35—C36—C31 | 0.7 (7) |
N4—C3—C31—C36 | 51.0 (6) | C5—C51—C52—C53 | −176.5 (4) |
C2—C3—C31—C32 | 50.0 (7) | C56—C51—C52—C53 | −0.6 (7) |
C2—C3—C31—C36 | −132.9 (5) | C5—C51—C56—C55 | 176.7 (5) |
N4—C5—C6—N1 | 8.4 (7) | C52—C51—C56—C55 | 0.9 (7) |
C51—C5—C6—N1 | −172.6 (4) | C51—C52—C53—C54 | 0.3 (7) |
N4—C5—C51—C52 | 2.3 (6) | C52—C53—C54—C55 | −0.2 (7) |
N4—C5—C51—C56 | −173.5 (4) | C53—C54—C55—C56 | 0.5 (8) |
C6—C5—C51—C52 | −176.8 (4) | C54—C55—C56—C51 | −0.9 (8) |
C6—C5—C51—C56 | 7.5 (7) |