7BZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C3 | N1 | sing | 1.46Å | 1.45Å | |
N1 | C2 | sing | 1.46Å | 1.46Å | |
N1 | BN1 | sing | 1.51Å | 1.42Å | |
BN1 | HN12 | sing | 1.17Å | 1.20Å | |
BN1 | HN11 | sing | 1.17Å | 1.20Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H33 | sing | 1.09Å | 1.10Å | |
C2 | H23 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C2 | H21 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | N1 | C2 | 120.0° | 120.0° |
C3 | N1 | BN1 | 120.0° | 120.0° |
N1 | C3 | H32 | 109.5° | 109.5° |
N1 | C3 | H31 | 109.5° | 109.5° |
N1 | C3 | H33 | 109.5° | 109.5° |
C2 | N1 | BN1 | 120.0° | 120.0° |
N1 | C2 | H23 | 109.5° | 109.5° |
N1 | C2 | H22 | 109.5° | 109.4° |
N1 | C2 | H21 | 109.4° | 109.5° |
N1 | BN1 | HN12 | 120.0° | 120.0° |
N1 | BN1 | HN11 | 120.0° | 120.0° |
HN12 | BN1 | HN11 | 120.0° | 120.0° |
H32 | C3 | H31 | 109.5° | 109.4° |
H32 | C3 | H33 | 109.5° | 109.4° |
H31 | C3 | H33 | 109.5° | 109.5° |
H23 | C2 | H22 | 109.5° | 109.5° |
H23 | C2 | H21 | 109.5° | 109.5° |
H22 | C2 | H21 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | N1 | C2 | BN1 | 180.0° | 180.0° |
C3 | N1 | BN1 | HN12 | 180.0° | 180.0° |
C3 | N1 | BN1 | HN11 | 0.0° | 0.2° |
N1 | C3 | H32 | H31 | 120.0° | 120.0° |
N1 | C3 | H32 | H33 | 120.0° | 120.0° |
N1 | C3 | H31 | H33 | 120.0° | 120.0° |
C3 | N1 | C2 | H23 | 180.0° | 90.0° |
C3 | N1 | C2 | H22 | 60.0° | 30.0° |
C3 | N1 | C2 | H21 | 60.0° | 150.0° |
C2 | N1 | BN1 | HN12 | 0.0° | 0.0° |
C2 | N1 | BN1 | HN11 | 180.0° | 179.8° |
C2 | N1 | C3 | H32 | 180.0° | 0.0° |
C2 | N1 | C3 | H31 | 60.0° | 120.0° |
C2 | N1 | C3 | H33 | 60.0° | 120.0° |
N1 | C2 | H23 | H22 | 120.0° | 120.0° |
N1 | C2 | H23 | H21 | 120.0° | 120.0° |
N1 | C2 | H22 | H21 | 120.0° | 120.0° |
N1 | BN1 | HN12 | HN11 | 180.0° | 179.8° |
BN1 | N1 | C3 | H32 | 0.1° | 180.0° |
BN1 | N1 | C3 | H31 | 120.0° | 60.0° |
BN1 | N1 | C3 | H33 | 120.0° | 60.0° |
BN1 | N1 | C2 | H23 | 0.0° | 90.0° |
BN1 | N1 | C2 | H22 | 120.0° | 150.0° |
BN1 | N1 | C2 | H21 | 120.0° | 30.0° |
H32 | C3 | H31 | H33 | 120.0° | 120.0° |
H23 | C2 | H22 | H21 | 120.0° | 120.0° |