C9N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | C1 | sing | 1.47Å | 1.47Å | |
C1B | C1 | sing | 1.53Å | 1.49Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C2 | N2 | sing | 1.47Å | 1.46Å | |
CN | N2 | sing | 1.47Å | 1.30Å | |
N2 | C3 | sing | 1.47Å | 1.44Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C4 | O | sing | 1.43Å | 1.54Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
N | H5 | sing | 1.01Å | 1.00Å | |
N | H6 | sing | 1.01Å | 1.00Å | |
C1B | HB3 | sing | 1.09Å | 1.10Å | |
C1B | HB2 | sing | 1.09Å | 1.10Å | |
C1B | HB1 | sing | 1.09Å | 1.10Å | |
CN | HN2 | sing | 1.09Å | 1.10Å | |
CN | HN1 | sing | 1.09Å | 1.10Å | |
CN | HN3 | sing | 1.09Å | 1.10Å | |
O | H | sing | 0.97Å | 0.95Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | C1 | C1B | 111.6° | 109.5° |
N | C1 | C2 | 107.4° | 109.5° |
N | C1 | H1 | 109.2° | 109.4° |
C1 | N | H5 | 109.5° | 111.0° |
C1 | N | H6 | 109.5° | 111.0° |
C1B | C1 | C2 | 111.1° | 109.5° |
C1B | C1 | H1 | 109.1° | 109.5° |
C1 | C1B | HB3 | 109.5° | 109.5° |
C1 | C1B | HB2 | 109.4° | 109.5° |
C1 | C1B | HB1 | 109.5° | 109.5° |
C1 | C2 | N2 | 114.0° | 109.5° |
C2 | C1 | H1 | 108.4° | 109.5° |
C1 | C2 | H2 | 108.3° | 109.4° |
C1 | C2 | H3 | 108.3° | 109.5° |
C2 | N2 | CN | 136.7° | 111.0° |
C2 | N2 | C3 | 103.1° | 111.0° |
N2 | C2 | H2 | 108.3° | 109.5° |
N2 | C2 | H3 | 108.3° | 109.5° |
CN | N2 | C3 | 107.5° | 111.0° |
N2 | CN | HN2 | 109.5° | 109.4° |
N2 | CN | HN1 | 109.5° | 109.4° |
N2 | CN | HN3 | 109.4° | 109.5° |
N2 | C3 | C4 | 115.5° | 109.5° |
N2 | C3 | H31 | 107.9° | 109.5° |
N2 | C3 | H32 | 107.9° | 109.4° |
C3 | C4 | O | 114.1° | 109.5° |
C4 | C3 | H31 | 108.0° | 109.4° |
C4 | C3 | H32 | 108.0° | 109.5° |
C3 | C4 | H42 | 108.3° | 109.5° |
C3 | C4 | H4 | 108.3° | 109.5° |
C4 | O | H | 109.5° | 114.0° |
O | C4 | H42 | 108.3° | 109.5° |
O | C4 | H4 | 108.3° | 109.5° |
H2 | C2 | H3 | 109.5° | 109.5° |
H31 | C3 | H32 | 109.5° | 109.5° |
H5 | N | H6 | 109.4° | 111.0° |
HB3 | C1B | HB2 | 109.4° | 109.4° |
HB3 | C1B | HB1 | 109.4° | 109.5° |
HB2 | C1B | HB1 | 109.5° | 109.4° |
HN2 | CN | HN1 | 109.4° | 109.5° |
HN2 | CN | HN3 | 109.5° | 109.5° |
HN1 | CN | HN3 | 109.5° | 109.5° |
H42 | C4 | H4 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | C1 | C1B | C2 | 119.9° | 120.0° |
N | C1 | C1B | H1 | 120.7° | 119.9° |
N | C1 | C2 | H1 | 117.8° | 120.0° |
N | C1 | C2 | N2 | 60.5° | 55.0° |
N | C1 | C2 | H2 | 178.9° | 175.0° |
N | C1 | C2 | H3 | 60.2° | 65.0° |
C1 | N | H5 | H6 | 120.0° | 124.0° |
N | C1 | C1B | HB3 | 180.0° | 180.0° |
N | C1 | C1B | HB2 | 60.0° | 60.0° |
N | C1 | C1B | HB1 | 60.0° | 60.0° |
C1B | C1 | C2 | H1 | 119.8° | 120.0° |
C1B | C1 | C2 | N2 | 177.2° | 175.0° |
C1B | C1 | C2 | H2 | 56.5° | 65.0° |
C1B | C1 | C2 | H3 | 62.1° | 55.0° |
C1B | C1 | N | H5 | 180.0° | 60.0° |
C1B | C1 | N | H6 | 60.0° | 64.0° |
C1 | C1B | HB3 | HB2 | 120.0° | 120.0° |
C1 | C1B | HB3 | HB1 | 120.0° | 120.0° |
C1 | C1B | HB2 | HB1 | 120.0° | 120.0° |
C1 | C2 | N2 | H2 | 120.7° | 120.0° |
C1 | C2 | N2 | H3 | 120.7° | 120.0° |
C1 | C2 | N2 | CN | 49.8° | 66.0° |
C1 | C2 | N2 | C3 | 175.9° | 170.0° |
C1 | C2 | H2 | H3 | 117.9° | 120.0° |
C2 | C1 | N | H5 | 57.9° | 60.0° |
C2 | C1 | N | H6 | 62.1° | 176.0° |
C2 | C1 | C1B | HB3 | 60.1° | 60.0° |
C2 | C1 | C1B | HB2 | 179.9° | 180.0° |
C2 | C1 | C1B | HB1 | 59.9° | 60.0° |
C2 | N2 | CN | C3 | 133.0° | 123.9° |
C2 | N2 | C3 | C4 | 158.0° | 76.4° |
N2 | C2 | C1 | H1 | 57.4° | 65.0° |
N2 | C2 | H2 | H3 | 117.9° | 120.0° |
C2 | N2 | C3 | H31 | 81.1° | 43.6° |
C2 | N2 | C3 | H32 | 37.1° | 163.6° |
C2 | N2 | CN | HN2 | 180.0° | 61.8° |
C2 | N2 | CN | HN1 | 60.0° | 178.2° |
C2 | N2 | CN | HN3 | 60.0° | 58.2° |
CN | N2 | C3 | C4 | 53.0° | 159.7° |
CN | N2 | C2 | H2 | 70.8° | 53.9° |
CN | N2 | C2 | H3 | 170.5° | 173.9° |
CN | N2 | C3 | H31 | 67.8° | 80.4° |
CN | N2 | C3 | H32 | 173.9° | 39.7° |
N2 | CN | HN2 | HN1 | 120.0° | 119.9° |
N2 | CN | HN2 | HN3 | 120.0° | 120.0° |
N2 | CN | HN1 | HN3 | 120.0° | 120.0° |
N2 | C3 | C4 | H31 | 120.9° | 120.0° |
N2 | C3 | C4 | H32 | 120.9° | 120.0° |
N2 | C3 | C4 | O | 94.5° | 65.0° |
C3 | N2 | C2 | H2 | 63.4° | 70.0° |
C3 | N2 | C2 | H3 | 55.2° | 50.0° |
N2 | C3 | H31 | H32 | 117.3° | 120.0° |
C3 | N2 | CN | HN2 | 47.0° | 62.1° |
C3 | N2 | CN | HN1 | 167.0° | 57.9° |
C3 | N2 | CN | HN3 | 72.9° | 177.8° |
N2 | C3 | C4 | H42 | 144.8° | 175.0° |
N2 | C3 | C4 | H4 | 26.2° | 55.0° |
C3 | C4 | O | H42 | 120.7° | 120.0° |
C3 | C4 | O | H4 | 120.7° | 120.0° |
C4 | C3 | H31 | H32 | 117.3° | 120.0° |
C3 | C4 | O | H | 180.0° | 180.0° |
C3 | C4 | H42 | H4 | 117.9° | 120.0° |
O | C4 | C3 | H31 | 26.3° | 175.0° |
O | C4 | C3 | H32 | 144.6° | 55.0° |
O | C4 | H42 | H4 | 117.9° | 120.0° |
H1 | C1 | C2 | H2 | 63.3° | 55.0° |
H1 | C1 | C2 | H3 | 178.1° | 175.0° |
H1 | C1 | N | H5 | 59.4° | 180.0° |
H1 | C1 | N | H6 | 179.3° | 56.0° |
H1 | C1 | C1B | HB3 | 59.3° | 60.0° |
H1 | C1 | C1B | HB2 | 60.7° | 60.0° |
H1 | C1 | C1B | HB1 | 179.3° | 179.9° |
H31 | C3 | C4 | H42 | 94.4° | 55.0° |
H31 | C3 | C4 | H4 | 147.0° | 65.0° |
H32 | C3 | C4 | H42 | 23.9° | 65.1° |
H32 | C3 | C4 | H4 | 94.7° | 174.9° |
HB3 | C1B | HB2 | HB1 | 120.0° | 120.0° |
HN2 | CN | HN1 | HN3 | 120.0° | 120.1° |
H | O | C4 | H42 | 59.3° | 60.0° |
H | O | C4 | H4 | 59.3° | 60.0° |