TB0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | N | trip | 1.14Å | 1.16Å | |
N | C2 | sing | 1.43Å | 1.44Å | |
C2 | C4 | sing | 1.53Å | 1.52Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | C1 | sing | 1.53Å | 1.53Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C4 | H4B | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C3 | H3B | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H1A | sing | 1.09Å | 1.10Å | |
C1 | H1B | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | N | C2 | 177.0° | 180.0° |
N | C2 | C4 | 106.2° | 109.5° |
N | C2 | C3 | 109.3° | 109.5° |
N | C2 | C1 | 109.3° | 109.5° |
C4 | C2 | C3 | 110.9° | 109.5° |
C4 | C2 | C1 | 111.4° | 109.5° |
C2 | C4 | H4 | 109.5° | 109.5° |
C2 | C4 | H4A | 109.5° | 109.5° |
C2 | C4 | H4B | 109.4° | 109.5° |
C3 | C2 | C1 | 109.7° | 109.5° |
C2 | C3 | H3 | 109.5° | 109.5° |
C2 | C3 | H3A | 109.4° | 109.5° |
C2 | C3 | H3B | 109.5° | 109.5° |
C2 | C1 | H1 | 109.5° | 109.5° |
C2 | C1 | H1A | 109.5° | 109.5° |
C2 | C1 | H1B | 109.5° | 109.5° |
H4 | C4 | H4A | 109.5° | 109.5° |
H4 | C4 | H4B | 109.4° | 109.4° |
H4A | C4 | H4B | 109.5° | 109.5° |
H3 | C3 | H3A | 109.5° | 109.5° |
H3 | C3 | H3B | 109.4° | 109.4° |
H3A | C3 | H3B | 109.5° | 109.5° |
H1 | C1 | H1A | 109.4° | 109.5° |
H1 | C1 | H1B | 109.5° | 109.4° |
H1A | C1 | H1B | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | N | C2 | C4 | 55.6° | 90.0° |
C | N | C2 | C3 | 175.3° | 90.0° |
C | N | C2 | C1 | 64.6° | 90.0° |
N | C2 | C4 | C3 | 118.6° | 120.0° |
N | C2 | C4 | C1 | 118.9° | 120.0° |
N | C2 | C3 | C1 | 119.8° | 120.0° |
N | C2 | C4 | H4 | 100.1° | 60.0° |
N | C2 | C4 | H4A | 139.9° | 180.0° |
N | C2 | C4 | H4B | 19.9° | 60.0° |
N | C2 | C3 | H3 | 90.3° | 60.0° |
N | C2 | C3 | H3A | 29.8° | 180.0° |
N | C2 | C3 | H3B | 149.8° | 60.0° |
N | C2 | C1 | H1 | 45.9° | 60.0° |
N | C2 | C1 | H1A | 165.8° | 180.0° |
N | C2 | C1 | H1B | 74.1° | 60.0° |
C4 | C2 | C3 | C1 | 123.4° | 120.0° |
C2 | C4 | H4 | H4A | 120.0° | 120.0° |
C2 | C4 | H4 | H4B | 119.9° | 120.0° |
C2 | C4 | H4A | H4B | 120.0° | 120.0° |
C4 | C2 | C3 | H3 | 153.0° | 180.0° |
C4 | C2 | C3 | H3A | 87.0° | 60.0° |
C4 | C2 | C3 | H3B | 33.0° | 60.0° |
C4 | C2 | C1 | H1 | 162.8° | 60.1° |
C4 | C2 | C1 | H1A | 77.2° | 60.0° |
C4 | C2 | C1 | H1B | 42.9° | 180.0° |
C3 | C2 | C4 | H4 | 141.3° | 60.0° |
C3 | C2 | C4 | H4A | 21.3° | 60.0° |
C3 | C2 | C4 | H4B | 98.7° | 180.0° |
C2 | C3 | H3 | H3A | 120.0° | 120.0° |
C2 | C3 | H3 | H3B | 120.0° | 120.0° |
C2 | C3 | H3A | H3B | 120.0° | 120.0° |
C3 | C2 | C1 | H1 | 74.0° | 180.0° |
C3 | C2 | C1 | H1A | 46.0° | 60.0° |
C3 | C2 | C1 | H1B | 166.0° | 60.0° |
C1 | C2 | C4 | H4 | 18.8° | 180.0° |
C1 | C2 | C4 | H4A | 101.2° | 60.0° |
C1 | C2 | C4 | H4B | 138.7° | 60.0° |
C1 | C2 | C3 | H3 | 29.6° | 60.1° |
C1 | C2 | C3 | H3A | 149.6° | 60.0° |
C1 | C2 | C3 | H3B | 90.4° | 180.0° |
C2 | C1 | H1 | H1A | 120.0° | 120.0° |
C2 | C1 | H1 | H1B | 120.0° | 120.0° |
C2 | C1 | H1A | H1B | 120.0° | 120.0° |
H4 | C4 | H4A | H4B | 120.0° | 119.9° |
H3 | C3 | H3A | H3B | 120.0° | 119.9° |
H1 | C1 | H1A | H1B | 120.0° | 120.0° |