98T
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
I11 | C10 | sing | 2.09Å | 2.13Å | |
O09 | C08 | sing | 1.36Å | 1.40Å | |
C10 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
C10 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
C08 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
C12 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
C07 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
C05 | C02 | sing | 1.48Å | 1.54Å | |
O01 | C02 | doub | 1.22Å | 1.19Å | |
C02 | O03 | sing | 1.35Å | 1.40Å | |
O03 | C04 | sing | 1.45Å | 1.40Å | |
C04 | H1 | sing | 1.09Å | 1.10Å | |
C04 | H2 | sing | 1.09Å | 1.10Å | |
C04 | H3 | sing | 1.09Å | 1.10Å | |
C06 | H4 | sing | 1.08Å | 1.08Å | |
C07 | H5 | sing | 1.08Å | 1.08Å | |
O09 | H6 | sing | 0.97Å | 0.95Å | |
C12 | H7 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
I11 | C10 | C08 | 121.9° | 120.0° |
I11 | C10 | C12 | 119.3° | 120.0° |
O09 | C08 | C10 | 121.2° | 119.9° |
O09 | C08 | C07 | 118.9° | 119.9° |
C08 | O09 | H6 | 109.5° | 114.0° |
C08 | C10 | C12 | 118.7° | 120.1° |
C10 | C08 | C07 | 119.9° | 120.2° |
C10 | C12 | C05 | 121.7° | 119.9° |
C10 | C12 | H7 | 119.1° | 120.1° |
C08 | C07 | C06 | 120.9° | 120.1° |
C08 | C07 | H5 | 119.5° | 120.0° |
C12 | C05 | C06 | 118.7° | 119.8° |
C12 | C05 | C02 | 120.1° | 120.0° |
C05 | C12 | H7 | 119.1° | 120.1° |
C07 | C06 | C05 | 120.0° | 119.9° |
C07 | C06 | H4 | 120.0° | 120.1° |
C06 | C07 | H5 | 119.6° | 119.9° |
C06 | C05 | C02 | 121.2° | 120.1° |
C05 | C06 | H4 | 120.0° | 120.0° |
C05 | C02 | O01 | 120.2° | 120.0° |
C05 | C02 | O03 | 121.8° | 120.0° |
O01 | C02 | O03 | 118.1° | 120.0° |
C02 | O03 | C04 | 114.1° | 117.0° |
O03 | C04 | H1 | 109.5° | 109.5° |
O03 | C04 | H2 | 109.5° | 109.4° |
O03 | C04 | H3 | 109.5° | 109.5° |
H1 | C04 | H2 | 109.5° | 109.4° |
H1 | C04 | H3 | 109.4° | 109.5° |
H2 | C04 | H3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
I11 | C10 | C08 | O09 | 0.1° | 0.2° |
I11 | C10 | C08 | C12 | 180.0° | 179.7° |
I11 | C10 | C08 | C07 | 179.9° | 179.7° |
I11 | C10 | C12 | C05 | 180.0° | 179.7° |
I11 | C10 | C12 | H7 | 0.1° | 0.3° |
O09 | C08 | C10 | C07 | 180.0° | 179.9° |
O09 | C08 | C10 | C12 | 179.9° | 179.9° |
O09 | C08 | C07 | C06 | 179.9° | 179.9° |
O09 | C08 | C07 | H5 | 0.1° | 0.1° |
C08 | C10 | C12 | C05 | 0.0° | 0.0° |
C10 | C08 | C07 | C06 | 0.1° | 0.1° |
C10 | C08 | C07 | H5 | 179.9° | 180.0° |
C10 | C08 | O09 | H6 | 180.0° | 90.1° |
C08 | C10 | C12 | H7 | 180.0° | 179.9° |
C12 | C10 | C08 | C07 | 0.1° | 0.0° |
C10 | C12 | C05 | H7 | 180.0° | 179.9° |
C10 | C12 | C05 | C06 | 0.1° | 0.0° |
C10 | C12 | C05 | C02 | 179.9° | 179.9° |
C08 | C07 | C06 | H5 | 180.0° | 180.0° |
C08 | C07 | C06 | C05 | 0.0° | 0.0° |
C08 | C07 | C06 | H4 | 180.0° | 180.0° |
C07 | C08 | O09 | H6 | 0.0° | 90.0° |
C12 | C05 | C06 | C07 | 0.1° | 0.0° |
C12 | C05 | C06 | C02 | 179.8° | 179.9° |
C12 | C05 | C02 | O01 | 5.1° | 180.0° |
C12 | C05 | C02 | O03 | 174.9° | 0.1° |
C12 | C05 | C06 | H4 | 179.9° | 180.0° |
C07 | C06 | C05 | H4 | 180.0° | 180.0° |
C07 | C06 | C05 | C02 | 179.8° | 179.9° |
C06 | C05 | C02 | O01 | 174.6° | 0.1° |
C06 | C05 | C02 | O03 | 5.3° | 180.0° |
C05 | C06 | C07 | H5 | 180.0° | 180.0° |
C06 | C05 | C12 | H7 | 179.9° | 180.0° |
C05 | C02 | O01 | O03 | 179.9° | 180.0° |
C05 | C02 | O03 | C04 | 179.8° | 179.9° |
C02 | C05 | C06 | H4 | 0.1° | 0.1° |
C02 | C05 | C12 | H7 | 0.1° | 0.1° |
O01 | C02 | O03 | C04 | 0.2° | 0.0° |
C02 | O03 | C04 | H1 | 180.0° | 180.0° |
C02 | O03 | C04 | H2 | 60.0° | 60.0° |
C02 | O03 | C04 | H3 | 60.0° | 59.9° |
O03 | C04 | H1 | H2 | 120.0° | 119.9° |
O03 | C04 | H1 | H3 | 120.0° | 120.1° |
O03 | C04 | H2 | H3 | 120.0° | 120.0° |
H1 | C04 | H2 | H3 | 120.0° | 120.0° |
H4 | C06 | C07 | H5 | 0.0° | 0.0° |