FGZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O01 | C02 | doub | 1.22Å | 1.25Å | |
O03 | C02 | sing | 1.35Å | 1.26Å | |
C02 | C04 | sing | 1.47Å | 1.50Å | |
C04 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
C04 | C12 | sing | 1.40Å | 1.37Å | Aromatic |
C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
C12 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
C06 | CL1 | sing | 1.74Å | 1.76Å | |
C06 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
C10 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
C10 | CL2 | sing | 1.74Å | 1.75Å | |
C08 | O09 | sing | 1.36Å | 1.42Å | |
O03 | H1 | sing | 0.97Å | 0.95Å | |
C05 | H2 | sing | 1.08Å | 1.08Å | |
O09 | H3 | sing | 0.97Å | 0.95Å | |
C12 | H4 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O01 | C02 | O03 | 122.1° | 120.0° |
O01 | C02 | C04 | 117.6° | 120.0° |
O03 | C02 | C04 | 120.3° | 120.0° |
C02 | O03 | H1 | 109.5° | 117.0° |
C02 | C04 | C05 | 122.2° | 120.1° |
C02 | C04 | C12 | 116.1° | 120.1° |
C05 | C04 | C12 | 121.7° | 119.8° |
C04 | C05 | C06 | 118.8° | 119.9° |
C04 | C05 | H2 | 120.6° | 120.0° |
C04 | C12 | C10 | 120.0° | 119.9° |
C04 | C12 | H4 | 120.0° | 120.0° |
C05 | C06 | CL1 | 119.8° | 120.0° |
C05 | C06 | C08 | 119.9° | 120.1° |
C06 | C05 | H2 | 120.6° | 120.1° |
C12 | C10 | C08 | 119.9° | 120.1° |
C12 | C10 | CL2 | 115.9° | 120.0° |
C10 | C12 | H4 | 120.0° | 120.1° |
CL1 | C06 | C08 | 120.3° | 120.0° |
C06 | C08 | C10 | 119.7° | 120.2° |
C06 | C08 | O09 | 119.7° | 119.8° |
C08 | C10 | CL2 | 124.2° | 120.0° |
C10 | C08 | O09 | 120.6° | 119.9° |
C08 | O09 | H3 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O01 | C02 | O03 | C04 | 180.0° | 179.7° |
O01 | C02 | C04 | C05 | 28.6° | 0.0° |
O01 | C02 | C04 | C12 | 151.0° | 179.7° |
O01 | C02 | O03 | H1 | 0.0° | 0.0° |
O03 | C02 | C04 | C05 | 151.4° | 179.7° |
O03 | C02 | C04 | C12 | 29.0° | 0.6° |
C02 | C04 | C05 | C12 | 179.6° | 179.7° |
C02 | C04 | C05 | C06 | 179.9° | 180.0° |
C02 | C04 | C12 | C10 | 179.8° | 179.8° |
C04 | C02 | O03 | H1 | 180.0° | 179.7° |
C02 | C04 | C05 | H2 | 0.1° | 0.1° |
C02 | C04 | C12 | H4 | 0.2° | 0.0° |
C04 | C05 | C06 | H2 | 180.0° | 180.0° |
C05 | C04 | C12 | C10 | 0.2° | 0.5° |
C04 | C05 | C06 | CL1 | 179.8° | 180.0° |
C04 | C05 | C06 | C08 | 0.0° | 0.1° |
C05 | C04 | C12 | H4 | 179.8° | 179.7° |
C12 | C04 | C05 | C06 | 0.4° | 0.3° |
C04 | C12 | C10 | H4 | 180.0° | 179.7° |
C04 | C12 | C10 | C08 | 0.3° | 0.5° |
C04 | C12 | C10 | CL2 | 179.6° | 179.8° |
C12 | C04 | C05 | H2 | 179.7° | 179.7° |
C05 | C06 | CL1 | C08 | 179.8° | 179.9° |
C05 | C06 | C08 | C10 | 0.5° | 0.0° |
C05 | C06 | C08 | O09 | 179.9° | 180.0° |
C12 | C10 | C08 | C06 | 0.6° | 0.3° |
C12 | C10 | C08 | CL2 | 179.3° | 179.7° |
C12 | C10 | C08 | O09 | 180.0° | 179.8° |
CL1 | C06 | C08 | C10 | 179.8° | 180.0° |
CL1 | C06 | C08 | O09 | 0.3° | 0.1° |
CL1 | C06 | C05 | H2 | 0.2° | 0.0° |
C06 | C08 | C10 | O09 | 179.4° | 179.9° |
C06 | C08 | C10 | CL2 | 179.9° | 180.0° |
C08 | C06 | C05 | H2 | 180.0° | 180.0° |
C06 | C08 | O09 | H3 | 180.0° | 90.1° |
C10 | C08 | O09 | H3 | 0.6° | 90.0° |
C08 | C10 | C12 | H4 | 179.7° | 179.7° |
CL2 | C10 | C08 | O09 | 0.7° | 0.1° |
CL2 | C10 | C12 | H4 | 0.4° | 0.0° |