W6P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C06 | C07 | doub | 1.38Å | 1.41Å | Aromatic |
C06 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
C07 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
C08 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
C04 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
C04 | C03 | sing | 1.51Å | 1.51Å | |
C09 | N10 | sing | 1.39Å | 1.51Å | |
C03 | C02 | sing | 1.51Å | 1.48Å | |
N10 | C02 | sing | 1.34Å | 1.43Å | |
C02 | O01 | doub | 1.21Å | 1.17Å | |
C03 | H032 | sing | 1.09Å | 1.10Å | |
C03 | H031 | sing | 1.09Å | 1.10Å | |
C05 | H051 | sing | 1.08Å | 1.08Å | |
C06 | H061 | sing | 1.08Å | 1.08Å | |
C07 | H071 | sing | 1.08Å | 1.08Å | |
C08 | H081 | sing | 1.08Å | 1.08Å | |
N10 | H101 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C07 | C06 | C05 | 121.5° | 119.8° |
C06 | C07 | C08 | 119.0° | 120.4° |
C07 | C06 | H061 | 119.3° | 120.1° |
C06 | C07 | H071 | 120.5° | 119.8° |
C06 | C05 | C04 | 119.1° | 119.9° |
C06 | C05 | H051 | 120.5° | 120.1° |
C05 | C06 | H061 | 119.3° | 120.1° |
C07 | C08 | C09 | 119.9° | 120.1° |
C08 | C07 | H071 | 120.5° | 119.8° |
C07 | C08 | H081 | 120.1° | 119.9° |
C05 | C04 | C09 | 119.4° | 120.8° |
C05 | C04 | C03 | 132.5° | 132.9° |
C04 | C05 | H051 | 120.5° | 120.0° |
C08 | C09 | C04 | 121.1° | 118.9° |
C08 | C09 | N10 | 130.2° | 130.8° |
C09 | C08 | H081 | 120.0° | 120.0° |
C09 | C04 | C03 | 108.1° | 106.3° |
C04 | C09 | N10 | 108.6° | 110.3° |
C04 | C03 | C02 | 106.8° | 104.1° |
C04 | C03 | H032 | 110.1° | 110.5° |
C04 | C03 | H031 | 110.1° | 110.6° |
C09 | N10 | C02 | 107.6° | 112.2° |
C09 | N10 | H101 | 126.2° | 123.9° |
C03 | C02 | N10 | 108.9° | 107.1° |
C03 | C02 | O01 | 128.1° | 126.4° |
C02 | C03 | H032 | 110.2° | 110.5° |
C02 | C03 | H031 | 110.1° | 110.6° |
N10 | C02 | O01 | 123.0° | 126.5° |
C02 | N10 | H101 | 126.2° | 123.8° |
H032 | C03 | H031 | 109.5° | 110.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C07 | C06 | C05 | H061 | 180.0° | 180.0° |
C06 | C07 | C08 | H071 | 180.0° | 180.0° |
C07 | C06 | C05 | C04 | 0.2° | 0.0° |
C06 | C07 | C08 | C09 | 0.7° | 0.0° |
C07 | C06 | C05 | H051 | 179.8° | 180.0° |
C06 | C07 | C08 | H081 | 179.3° | 180.0° |
C05 | C06 | C07 | C08 | 0.3° | 0.0° |
C06 | C05 | C04 | H051 | 180.0° | 179.9° |
C06 | C05 | C04 | C09 | 0.5° | 0.1° |
C06 | C05 | C04 | C03 | 179.3° | 179.7° |
C05 | C06 | C07 | H071 | 179.7° | 180.0° |
C07 | C08 | C09 | H081 | 180.0° | 180.0° |
C07 | C08 | C09 | C04 | 1.0° | 0.0° |
C07 | C08 | C09 | N10 | 179.4° | 180.0° |
C08 | C07 | C06 | H061 | 179.7° | 180.0° |
C05 | C04 | C09 | C08 | 0.9° | 0.0° |
C05 | C04 | C09 | C03 | 179.9° | 179.7° |
C05 | C04 | C09 | N10 | 179.7° | 179.9° |
C05 | C04 | C03 | C02 | 179.7° | 179.6° |
C05 | C04 | C03 | H032 | 60.7° | 61.0° |
C05 | C04 | C03 | H031 | 60.1° | 61.6° |
C04 | C05 | C06 | H061 | 179.8° | 180.0° |
C08 | C09 | C04 | N10 | 178.7° | 179.9° |
C08 | C09 | C04 | C03 | 178.9° | 179.7° |
C08 | C09 | N10 | C02 | 179.4° | 179.5° |
C09 | C08 | C07 | H071 | 179.3° | 179.9° |
C08 | C09 | N10 | H101 | 0.6° | 0.1° |
C09 | C04 | C03 | C02 | 0.4° | 0.0° |
C04 | C09 | N10 | C02 | 0.8° | 0.4° |
C09 | C04 | C03 | H032 | 119.1° | 118.6° |
C09 | C04 | C03 | H031 | 120.0° | 118.8° |
C09 | C04 | C05 | H051 | 179.5° | 180.0° |
C04 | C09 | C08 | H081 | 179.0° | 180.0° |
C04 | C09 | N10 | H101 | 179.2° | 180.0° |
C03 | C04 | C09 | N10 | 0.2° | 0.2° |
C04 | C03 | C02 | H032 | 119.6° | 118.6° |
C04 | C03 | C02 | H031 | 119.6° | 118.8° |
C04 | C03 | C02 | N10 | 0.9° | 0.3° |
C04 | C03 | C02 | O01 | 178.9° | 179.9° |
C04 | C03 | H032 | H031 | 121.2° | 122.7° |
C03 | C04 | C05 | H051 | 0.7° | 0.4° |
C09 | N10 | C02 | C03 | 1.0° | 0.4° |
C09 | N10 | C02 | H101 | 180.0° | 179.6° |
C09 | N10 | C02 | O01 | 178.8° | 179.9° |
N10 | C09 | C08 | H081 | 0.6° | 0.1° |
C03 | C02 | N10 | O01 | 179.9° | 179.7° |
C02 | C03 | H032 | H031 | 121.3° | 122.6° |
C03 | C02 | N10 | H101 | 178.9° | 180.0° |
N10 | C02 | C03 | H032 | 118.6° | 118.9° |
N10 | C02 | C03 | H031 | 120.5° | 118.6° |
O01 | C02 | C03 | H032 | 61.5° | 61.4° |
O01 | C02 | C03 | H031 | 59.4° | 61.1° |
O01 | C02 | N10 | H101 | 1.2° | 0.3° |
H051 | C05 | C06 | H061 | 0.2° | 0.0° |
H061 | C06 | C07 | H071 | 0.3° | 0.0° |
H071 | C07 | C08 | H081 | 0.7° | 0.0° |