GXT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | doub | 1.21Å | 1.21Å | |
O | C | doub | 1.21Å | 1.22Å | |
C1 | C | sing | 1.49Å | 1.46Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C | H2 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C | 119.3° | 120.0° |
O1 | C1 | H1 | 120.4° | 120.0° |
O | C | C1 | 120.3° | 120.0° |
O | C | H2 | 119.8° | 120.0° |
C | C1 | H1 | 120.4° | 120.0° |
C1 | C | H2 | 119.9° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C | O | 3.4° | 180.0° |
O1 | C1 | C | H1 | 180.0° | 179.8° |
O1 | C1 | C | H2 | 176.6° | 0.1° |
O | C | C1 | H2 | 180.0° | 179.9° |
O | C | C1 | H1 | 176.7° | 0.2° |
H1 | C1 | C | H2 | 3.3° | 179.8° |