2RP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C2 | C6 | sing | 1.53Å | 1.53Å | |
C6 | C9 | sing | 1.53Å | 1.52Å | |
C9 | C13 | sing | 1.53Å | 1.53Å | |
C9 | O17 | sing | 1.43Å | 1.43Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H1A | sing | 1.09Å | 1.10Å | |
C1 | H1B | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H2A | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H13A | sing | 1.09Å | 1.10Å | |
C13 | H13B | sing | 1.09Å | 1.10Å | |
O17 | HO17 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | C2 | C6 | 111.7° | 109.5° |
C2 | C1 | H1 | 109.5° | 109.5° |
C2 | C1 | H1A | 109.5° | 109.5° |
C2 | C1 | H1B | 109.5° | 109.5° |
C1 | C2 | H2 | 108.7° | 109.5° |
C1 | C2 | H2A | 108.2° | 109.4° |
C2 | C6 | C9 | 117.0° | 109.5° |
C6 | C2 | H2 | 108.7° | 109.5° |
C6 | C2 | H2A | 108.2° | 109.5° |
C2 | C6 | H6 | 107.0° | 109.5° |
C2 | C6 | H6A | 105.3° | 109.4° |
C6 | C9 | C13 | 116.0° | 109.4° |
C6 | C9 | O17 | 111.0° | 109.5° |
C9 | C6 | H6 | 107.0° | 109.5° |
C9 | C6 | H6A | 105.3° | 109.5° |
C6 | C9 | H9 | 104.0° | 109.5° |
C13 | C9 | O17 | 110.6° | 109.4° |
C13 | C9 | H9 | 104.4° | 109.5° |
C9 | C13 | H13 | 109.5° | 109.5° |
C9 | C13 | H13A | 109.5° | 109.5° |
C9 | C13 | H13B | 109.5° | 109.5° |
O17 | C9 | H9 | 110.2° | 109.5° |
C9 | O17 | HO17 | 109.5° | 114.0° |
H1 | C1 | H1A | 109.5° | 109.5° |
H1 | C1 | H1B | 109.4° | 109.4° |
H1A | C1 | H1B | 109.5° | 109.5° |
H2 | C2 | H2A | 111.3° | 109.5° |
H6 | C6 | H6A | 115.6° | 109.5° |
H13 | C13 | H13A | 109.5° | 109.5° |
H13 | C13 | H13B | 109.5° | 109.5° |
H13A | C13 | H13B | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | C2 | C6 | H2 | 120.0° | 120.0° |
C1 | C2 | C6 | H2A | 119.0° | 120.0° |
C1 | C2 | C6 | C9 | 78.5° | 180.0° |
C2 | C1 | H1 | H1A | 120.0° | 120.0° |
C2 | C1 | H1 | H1B | 120.0° | 120.0° |
C2 | C1 | H1A | H1B | 120.0° | 120.0° |
C1 | C2 | H2 | H2A | 119.1° | 120.0° |
C1 | C2 | C6 | H6 | 161.5° | 60.0° |
C1 | C2 | C6 | H6A | 38.0° | 60.0° |
C2 | C6 | C9 | H6 | 120.0° | 120.0° |
C2 | C6 | C9 | H6A | 116.5° | 120.0° |
C2 | C6 | C9 | C13 | 3.6° | 175.1° |
C2 | C6 | C9 | O17 | 131.0° | 65.0° |
C6 | C2 | C1 | H1 | 168.3° | 180.0° |
C6 | C2 | C1 | H1A | 71.7° | 60.1° |
C6 | C2 | C1 | H1B | 48.4° | 60.0° |
C6 | C2 | H2 | H2A | 119.1° | 120.0° |
C2 | C6 | H6 | H6A | 116.9° | 119.9° |
C2 | C6 | C9 | H9 | 110.5° | 55.1° |
C6 | C9 | C13 | O17 | 127.6° | 120.0° |
C6 | C9 | C13 | H9 | 113.8° | 120.0° |
C6 | C9 | O17 | H9 | 114.7° | 120.0° |
C9 | C6 | C2 | H2 | 41.4° | 60.0° |
C9 | C6 | C2 | H2A | 162.4° | 60.0° |
C9 | C6 | H6 | H6A | 116.9° | 120.0° |
C6 | C9 | C13 | H13 | 147.3° | 60.0° |
C6 | C9 | C13 | H13A | 92.7° | 179.9° |
C6 | C9 | C13 | H13B | 27.3° | 60.1° |
C6 | C9 | O17 | HO17 | 132.4° | 59.9° |
C13 | C9 | O17 | H9 | 115.0° | 120.0° |
C13 | C9 | C6 | H6 | 116.4° | 55.0° |
C13 | C9 | C6 | H6A | 120.1° | 65.0° |
C9 | C13 | H13 | H13A | 120.0° | 120.1° |
C9 | C13 | H13 | H13B | 120.0° | 120.1° |
C9 | C13 | H13A | H13B | 120.0° | 119.9° |
C13 | C9 | O17 | HO17 | 97.3° | 60.0° |
O17 | C9 | C6 | H6 | 11.1° | 175.0° |
O17 | C9 | C6 | H6A | 112.5° | 55.0° |
O17 | C9 | C13 | H13 | 19.7° | 60.0° |
O17 | C9 | C13 | H13A | 139.7° | 60.1° |
O17 | C9 | C13 | H13B | 100.3° | 179.9° |
H1 | C1 | H1A | H1B | 120.0° | 120.0° |
H1 | C1 | C2 | H2 | 71.7° | 60.0° |
H1 | C1 | C2 | H2A | 49.3° | 60.0° |
H1A | C1 | C2 | H2 | 48.3° | 60.0° |
H1A | C1 | C2 | H2A | 169.3° | 180.0° |
H1B | C1 | C2 | H2 | 168.4° | 179.9° |
H1B | C1 | C2 | H2A | 70.6° | 60.0° |
H2 | C2 | C6 | H6 | 78.5° | 180.0° |
H2 | C2 | C6 | H6A | 157.9° | 60.0° |
H2A | C2 | C6 | H6 | 42.5° | 60.0° |
H2A | C2 | C6 | H6A | 81.1° | 180.0° |
H6 | C6 | C9 | H9 | 129.5° | 65.0° |
H6A | C6 | C9 | H9 | 6.0° | 175.0° |
H9 | C9 | C13 | H13 | 98.9° | 180.0° |
H9 | C9 | C13 | H13A | 21.1° | 60.0° |
H9 | C9 | C13 | H13B | 141.1° | 59.9° |
H9 | C9 | O17 | HO17 | 17.7° | 180.0° |
H13 | C13 | H13A | H13B | 120.0° | 120.0° |