BXO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C4 | C3 | sing | 1.53Å | 1.52Å | |
C3 | C2 | sing | 1.53Å | 1.53Å | |
C2 | C1 | sing | 1.51Å | 1.53Å | |
C1 | N1 | doub | 1.28Å | 1.28Å | |
N1 | O1 | sing | 1.42Å | 1.40Å | |
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 | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H2A | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4 | C3 | C2 | 111.8° | 109.5° |
C3 | C4 | H4 | 109.5° | 109.5° |
C3 | C4 | H4A | 109.4° | 109.5° |
C3 | C4 | H4B | 109.5° | 109.5° |
C4 | C3 | H3 | 108.7° | 109.5° |
C4 | C3 | H3A | 108.2° | 109.4° |
C3 | C2 | C1 | 110.2° | 109.5° |
C2 | C3 | H3 | 108.7° | 109.5° |
C2 | C3 | H3A | 108.2° | 109.5° |
C3 | C2 | H2 | 109.2° | 109.5° |
C3 | C2 | H2A | 109.1° | 109.5° |
C2 | C1 | N1 | 125.8° | 120.0° |
C1 | C2 | H2 | 109.2° | 109.5° |
C1 | C2 | H2A | 109.1° | 109.5° |
C2 | C1 | H1 | 117.1° | 120.0° |
C1 | N1 | O1 | 118.3° | 120.0° |
N1 | C1 | H1 | 117.1° | 120.0° |
N1 | O1 | HO1 | 109.5° | 114.0° |
H4 | C4 | H4A | 109.5° | 109.4° |
H4 | C4 | H4B | 109.4° | 109.5° |
H4A | C4 | H4B | 109.5° | 109.5° |
H3 | C3 | H3A | 111.3° | 109.5° |
H2 | C2 | H2A | 110.0° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C4 | C3 | C2 | H3 | 120.0° | 120.0° |
C4 | C3 | C2 | H3A | 119.0° | 120.0° |
C4 | C3 | C2 | C1 | 78.5° | 180.0° |
C3 | C4 | H4 | H4A | 120.0° | 120.0° |
C3 | C4 | H4 | H4B | 120.0° | 120.0° |
C3 | C4 | H4A | H4B | 120.0° | 120.0° |
C4 | C3 | H3 | H3A | 119.1° | 120.0° |
C4 | C3 | C2 | H2 | 41.5° | 60.0° |
C4 | C3 | C2 | H2A | 161.8° | 60.0° |
C3 | C2 | C1 | H2 | 120.0° | 120.0° |
C3 | C2 | C1 | H2A | 119.7° | 120.0° |
C3 | C2 | C1 | N1 | 161.1° | 125.0° |
C2 | C3 | C4 | H4 | 96.2° | 180.0° |
C2 | C3 | C4 | H4A | 23.8° | 60.0° |
C2 | C3 | C4 | H4B | 143.8° | 60.0° |
C2 | C3 | H3 | H3A | 119.0° | 120.0° |
C3 | C2 | H2 | H2A | 119.7° | 120.0° |
C3 | C2 | C1 | H1 | 18.9° | 55.0° |
C2 | C1 | N1 | H1 | 180.0° | 180.0° |
C2 | C1 | N1 | O1 | 0.4° | 0.0° |
C1 | C2 | C3 | H3 | 161.5° | 60.0° |
C1 | C2 | C3 | H3A | 40.5° | 60.0° |
C1 | C2 | H2 | H2A | 119.7° | 120.0° |
N1 | C1 | C2 | H2 | 41.1° | 5.0° |
N1 | C1 | C2 | H2A | 79.2° | 115.0° |
C1 | N1 | O1 | HO1 | 1.7° | 180.0° |
O1 | N1 | C1 | H1 | 179.6° | 180.0° |
H4 | C4 | H4A | H4B | 120.0° | 120.0° |
H4 | C4 | C3 | H3 | 23.8° | 59.9° |
H4 | C4 | C3 | H3A | 144.8° | 60.0° |
H4A | C4 | C3 | H3 | 143.8° | 60.0° |
H4A | C4 | C3 | H3A | 95.2° | 180.0° |
H4B | C4 | C3 | H3 | 96.2° | 180.0° |
H4B | C4 | C3 | H3A | 24.8° | 60.0° |
H3 | C3 | C2 | H2 | 78.5° | 180.0° |
H3 | C3 | C2 | H2A | 41.8° | 60.1° |
H3A | C3 | C2 | H2 | 160.5° | 60.0° |
H3A | C3 | C2 | H2A | 79.2° | 179.9° |
H2 | C2 | C1 | H1 | 138.9° | 175.0° |
H2A | C2 | C1 | H1 | 100.8° | 65.0° |