RJY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C09 | sing | 1.51Å | 1.52Å | |
C09 | S08 | sing | 1.71Å | 1.62Å | Aromatic |
C09 | N11 | doub | 1.29Å | 1.39Å | Aromatic |
S08 | C07 | sing | 1.71Å | 1.59Å | Aromatic |
N11 | C06 | sing | 1.34Å | 1.48Å | Aromatic |
C07 | C06 | doub | 1.35Å | 1.42Å | Aromatic |
C06 | C02 | sing | 1.47Å | 1.53Å | |
C04 | O03 | sing | 1.45Å | 1.40Å | |
C04 | C05 | sing | 1.53Å | 1.53Å | |
O03 | C02 | sing | 1.35Å | 1.40Å | |
C02 | O01 | doub | 1.22Å | 1.18Å | |
C10 | H1 | sing | 1.09Å | 1.10Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C10 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.09Å | 1.10Å | |
C04 | H5 | sing | 1.09Å | 1.10Å | |
C05 | H6 | sing | 1.09Å | 1.10Å | |
C05 | H7 | sing | 1.09Å | 1.10Å | |
C05 | H8 | sing | 1.09Å | 1.10Å | |
C07 | H9 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C10 | C09 | S08 | 123.9° | 124.7° |
C10 | C09 | N11 | 125.7° | 124.7° |
C09 | C10 | H1 | 109.5° | 109.5° |
C09 | C10 | H2 | 109.5° | 109.5° |
C09 | C10 | H3 | 109.5° | 109.4° |
S08 | C09 | N11 | 110.3° | 110.6° |
C09 | S08 | C07 | 99.5° | 91.1° |
C09 | N11 | C06 | 110.2° | 115.8° |
S08 | C07 | C06 | 109.5° | 108.8° |
S08 | C07 | H9 | 125.2° | 125.6° |
N11 | C06 | C07 | 110.4° | 113.7° |
N11 | C06 | C02 | 126.2° | 123.1° |
C07 | C06 | C02 | 123.4° | 123.1° |
C06 | C07 | H9 | 125.2° | 125.6° |
C06 | C02 | O03 | 121.7° | 120.0° |
C06 | C02 | O01 | 118.5° | 120.0° |
O03 | C04 | C05 | 113.0° | 109.4° |
C04 | O03 | C02 | 119.1° | 117.0° |
O03 | C04 | H4 | 108.6° | 109.5° |
O03 | C04 | H5 | 108.6° | 109.5° |
C05 | C04 | H4 | 108.6° | 109.5° |
C05 | C04 | H5 | 108.6° | 109.4° |
C04 | C05 | H6 | 109.5° | 109.5° |
C04 | C05 | H7 | 109.5° | 109.5° |
C04 | C05 | H8 | 109.5° | 109.4° |
O03 | C02 | O01 | 119.8° | 120.0° |
H1 | C10 | H2 | 109.5° | 109.5° |
H1 | C10 | H3 | 109.4° | 109.5° |
H2 | C10 | H3 | 109.5° | 109.4° |
H4 | C04 | H5 | 109.5° | 109.5° |
H6 | C05 | H7 | 109.5° | 109.5° |
H6 | C05 | H8 | 109.5° | 109.5° |
H7 | C05 | H8 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C10 | C09 | S08 | N11 | 179.8° | 179.7° |
C10 | C09 | S08 | C07 | 179.6° | 180.0° |
C10 | C09 | N11 | C06 | 179.7° | 179.8° |
C09 | C10 | H1 | H2 | 120.0° | 120.0° |
C09 | C10 | H1 | H3 | 120.0° | 120.0° |
C09 | C10 | H2 | H3 | 120.0° | 119.9° |
S08 | C09 | N11 | C06 | 0.1° | 0.5° |
C09 | S08 | C07 | C06 | 0.2° | 0.0° |
S08 | C09 | C10 | H1 | 0.0° | 0.0° |
S08 | C09 | C10 | H2 | 120.0° | 120.0° |
S08 | C09 | C10 | H3 | 120.0° | 120.1° |
C09 | S08 | C07 | H9 | 179.7° | 180.0° |
N11 | C09 | S08 | C07 | 0.2° | 0.3° |
C09 | N11 | C06 | C07 | 0.1° | 0.4° |
C09 | N11 | C06 | C02 | 179.6° | 179.8° |
N11 | C09 | C10 | H1 | 179.8° | 179.7° |
N11 | C09 | C10 | H2 | 60.2° | 59.7° |
N11 | C09 | C10 | H3 | 59.8° | 60.2° |
S08 | C07 | C06 | N11 | 0.2° | 0.2° |
S08 | C07 | C06 | H9 | 180.0° | 180.0° |
S08 | C07 | C06 | C02 | 179.7° | 179.9° |
N11 | C06 | C07 | C02 | 179.5° | 179.7° |
N11 | C06 | C02 | O03 | 65.3° | 0.4° |
N11 | C06 | C02 | O01 | 116.3° | 179.7° |
N11 | C06 | C07 | H9 | 179.8° | 179.8° |
C07 | C06 | C02 | O03 | 115.3° | 180.0° |
C07 | C06 | C02 | O01 | 63.2° | 0.0° |
C06 | C02 | O03 | C04 | 87.7° | 180.0° |
C06 | C02 | O03 | O01 | 178.4° | 179.9° |
C02 | C06 | C07 | H9 | 0.2° | 0.0° |
O03 | C04 | C05 | H4 | 120.5° | 120.0° |
O03 | C04 | C05 | H5 | 120.5° | 120.0° |
C04 | O03 | C02 | O01 | 93.9° | 0.1° |
O03 | C04 | H4 | H5 | 118.4° | 120.0° |
O03 | C04 | C05 | H6 | 180.0° | 60.0° |
O03 | C04 | C05 | H7 | 60.0° | 60.1° |
O03 | C04 | C05 | H8 | 60.0° | 180.0° |
C05 | C04 | O03 | C02 | 7.6° | 180.0° |
C05 | C04 | H4 | H5 | 118.4° | 120.0° |
C04 | C05 | H6 | H7 | 120.0° | 120.1° |
C04 | C05 | H6 | H8 | 120.0° | 120.0° |
C04 | C05 | H7 | H8 | 120.0° | 119.9° |
C02 | O03 | C04 | H4 | 128.2° | 60.0° |
C02 | O03 | C04 | H5 | 112.9° | 60.1° |
H1 | C10 | H2 | H3 | 119.9° | 120.0° |
H4 | C04 | C05 | H6 | 59.5° | 180.0° |
H4 | C04 | C05 | H7 | 179.5° | 59.9° |
H4 | C04 | C05 | H8 | 60.5° | 60.0° |
H5 | C04 | C05 | H6 | 59.5° | 60.0° |
H5 | C04 | C05 | H7 | 60.6° | 180.0° |
H5 | C04 | C05 | H8 | 179.5° | 60.1° |
H6 | C05 | H7 | H8 | 120.0° | 120.0° |