O9B
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C33 | C34 | sing | 1.53Å | 1.52Å | |
C33 | C32 | sing | 1.53Å | 1.53Å | |
O6 | C31 | doub | 1.21Å | 1.24Å | |
C31 | C32 | sing | 1.51Å | 1.53Å | |
C34 | C35 | sing | 1.53Å | 1.52Å | |
C32 | N5 | sing | 1.47Å | 1.47Å | |
C35 | C36 | sing | 1.53Å | 1.51Å | |
N5 | C36 | sing | 1.47Å | 1.47Å | |
N5 | C37 | sing | 1.47Å | 1.46Å | |
C31 | O1 | sing | 1.34Å | 1.34Å | |
C32 | H2 | sing | 1.09Å | 1.10Å | |
C33 | H3 | sing | 1.09Å | 1.10Å | |
C33 | H4 | sing | 1.09Å | 1.10Å | |
C34 | H5 | sing | 1.09Å | 1.10Å | |
C34 | H6 | sing | 1.09Å | 1.10Å | |
C35 | H7 | sing | 1.09Å | 1.10Å | |
C35 | H8 | sing | 1.09Å | 1.10Å | |
C36 | H9 | sing | 1.09Å | 1.10Å | |
C36 | H10 | sing | 1.09Å | 1.10Å | |
C37 | H11 | sing | 1.09Å | 1.10Å | |
C37 | H12 | sing | 1.09Å | 1.10Å | |
C37 | H13 | sing | 1.09Å | 1.10Å | |
O1 | H14 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C34 | C33 | C32 | 112.1° | 109.3° |
C33 | C34 | C35 | 110.1° | 109.2° |
C34 | C33 | H3 | 108.8° | 109.5° |
C34 | C33 | H4 | 108.8° | 109.5° |
C33 | C34 | H5 | 109.3° | 109.5° |
C33 | C34 | H6 | 109.3° | 109.6° |
C33 | C32 | C31 | 110.6° | 109.5° |
C33 | C32 | N5 | 110.3° | 109.6° |
C33 | C32 | H2 | 107.3° | 109.5° |
C32 | C33 | H3 | 108.8° | 109.5° |
C32 | C33 | H4 | 108.8° | 109.5° |
O6 | C31 | C32 | 121.7° | 120.0° |
O6 | C31 | O1 | 121.9° | 120.0° |
C31 | C32 | N5 | 113.0° | 109.5° |
C32 | C31 | O1 | 116.4° | 120.0° |
C31 | C32 | H2 | 107.3° | 109.4° |
C34 | C35 | C36 | 110.7° | 109.3° |
C35 | C34 | H5 | 109.3° | 109.5° |
C35 | C34 | H6 | 109.3° | 109.5° |
C34 | C35 | H7 | 109.2° | 109.5° |
C34 | C35 | H8 | 109.2° | 109.5° |
C32 | N5 | C36 | 114.7° | 111.2° |
C32 | N5 | C37 | 112.6° | 111.0° |
N5 | C32 | H2 | 108.1° | 109.5° |
C35 | C36 | N5 | 111.3° | 109.5° |
C36 | C35 | H7 | 109.2° | 109.5° |
C36 | C35 | H8 | 109.2° | 109.5° |
C35 | C36 | H9 | 109.0° | 109.5° |
C35 | C36 | H10 | 109.0° | 109.4° |
C36 | N5 | C37 | 110.2° | 111.0° |
N5 | C36 | H9 | 109.0° | 109.5° |
N5 | C36 | H10 | 109.0° | 109.5° |
N5 | C37 | H11 | 109.5° | 109.5° |
N5 | C37 | H12 | 109.4° | 109.5° |
N5 | C37 | H13 | 109.5° | 109.5° |
C31 | O1 | H14 | 109.5° | 117.0° |
H3 | C33 | H4 | 109.5° | 109.6° |
H5 | C34 | H6 | 109.5° | 109.6° |
H7 | C35 | H8 | 109.5° | 109.5° |
H9 | C36 | H10 | 109.5° | 109.4° |
H11 | C37 | H12 | 109.5° | 109.5° |
H11 | C37 | H13 | 109.5° | 109.5° |
H12 | C37 | H13 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C34 | C33 | C32 | H3 | 120.4° | 120.0° |
C34 | C33 | C32 | H4 | 120.4° | 119.9° |
C34 | C33 | C32 | C31 | 178.1° | 179.2° |
C33 | C34 | C35 | H5 | 120.1° | 119.9° |
C33 | C34 | C35 | H6 | 120.1° | 120.0° |
C34 | C33 | C32 | N5 | 52.4° | 59.2° |
C33 | C34 | C35 | C36 | 55.7° | 57.6° |
C34 | C33 | C32 | H2 | 65.2° | 60.9° |
C34 | C33 | H3 | H4 | 118.8° | 120.1° |
C33 | C34 | H5 | H6 | 119.7° | 120.2° |
C33 | C34 | C35 | H7 | 175.9° | 177.6° |
C33 | C34 | C35 | H8 | 64.5° | 62.3° |
C33 | C32 | C31 | O6 | 108.8° | 100.1° |
C33 | C32 | C31 | N5 | 124.2° | 120.1° |
C33 | C32 | C31 | H2 | 116.7° | 119.9° |
C32 | C33 | C34 | C35 | 54.5° | 57.6° |
C33 | C32 | N5 | H2 | 117.0° | 120.0° |
C33 | C32 | N5 | C36 | 53.3° | 61.7° |
C33 | C32 | N5 | C37 | 179.7° | 174.2° |
C33 | C32 | C31 | O1 | 71.2° | 79.9° |
C32 | C33 | H3 | H4 | 118.9° | 120.1° |
C32 | C33 | C34 | H5 | 65.6° | 62.3° |
C32 | C33 | C34 | H6 | 174.6° | 177.5° |
O6 | C31 | C32 | O1 | 179.9° | 179.9° |
O6 | C31 | C32 | N5 | 15.5° | 20.0° |
O6 | C31 | C32 | H2 | 134.5° | 140.0° |
O6 | C31 | O1 | H14 | 0.0° | 0.1° |
C31 | C32 | N5 | H2 | 118.5° | 119.9° |
C31 | C32 | N5 | C36 | 177.7° | 178.2° |
C31 | C32 | N5 | C37 | 55.3° | 54.1° |
C31 | C32 | C33 | H3 | 57.7° | 60.9° |
C31 | C32 | C33 | H4 | 61.5° | 59.3° |
C32 | C31 | O1 | H14 | 179.9° | 180.0° |
C34 | C35 | C36 | H7 | 120.2° | 120.0° |
C34 | C35 | C36 | H8 | 120.2° | 119.9° |
C34 | C35 | C36 | N5 | 55.9° | 59.1° |
C35 | C34 | C33 | H3 | 65.9° | 177.6° |
C35 | C34 | C33 | H4 | 174.9° | 62.3° |
C35 | C34 | H5 | H6 | 119.7° | 120.1° |
C34 | C35 | H7 | H8 | 119.4° | 120.1° |
C34 | C35 | C36 | H9 | 64.4° | 179.2° |
C34 | C35 | C36 | H10 | 176.1° | 60.9° |
C32 | N5 | C36 | C35 | 55.8° | 61.7° |
C32 | N5 | C36 | C37 | 128.2° | 124.1° |
N5 | C32 | C31 | O1 | 164.6° | 160.1° |
N5 | C32 | C33 | H3 | 68.0° | 179.1° |
N5 | C32 | C33 | H4 | 172.7° | 60.7° |
C32 | N5 | C36 | H9 | 64.5° | 178.2° |
C32 | N5 | C36 | H10 | 176.0° | 58.3° |
C32 | N5 | C37 | H11 | 180.0° | 179.8° |
C32 | N5 | C37 | H12 | 60.0° | 59.7° |
C32 | N5 | C37 | H13 | 60.0° | 60.3° |
C35 | C36 | N5 | H9 | 120.3° | 120.1° |
C35 | C36 | N5 | H10 | 120.3° | 120.0° |
C35 | C36 | N5 | C37 | 176.0° | 174.2° |
C36 | C35 | C34 | H5 | 64.4° | 62.3° |
C36 | C35 | C34 | H6 | 175.8° | 177.6° |
C36 | C35 | H7 | H8 | 119.4° | 120.1° |
C35 | C36 | H9 | H10 | 119.2° | 120.0° |
C36 | N5 | C32 | H2 | 63.8° | 58.3° |
N5 | C36 | C35 | H7 | 176.0° | 179.1° |
N5 | C36 | C35 | H8 | 64.3° | 60.8° |
N5 | C36 | H9 | H10 | 119.2° | 120.0° |
C36 | N5 | C37 | H11 | 50.6° | 56.0° |
C36 | N5 | C37 | H12 | 170.6° | 176.1° |
C36 | N5 | C37 | H13 | 69.4° | 63.9° |
C37 | N5 | C32 | H2 | 63.3° | 65.8° |
C37 | N5 | C36 | H9 | 63.7° | 54.1° |
C37 | N5 | C36 | H10 | 55.7° | 65.8° |
N5 | C37 | H11 | H12 | 120.0° | 120.0° |
N5 | C37 | H11 | H13 | 120.0° | 120.0° |
N5 | C37 | H12 | H13 | 120.0° | 120.0° |
O1 | C31 | C32 | H2 | 45.6° | 40.1° |
H2 | C32 | C33 | H3 | 174.5° | 59.1° |
H2 | C32 | C33 | H4 | 55.2° | 179.2° |
H3 | C33 | C34 | H5 | 174.0° | 57.7° |
H3 | C33 | C34 | H6 | 54.2° | 62.5° |
H4 | C33 | C34 | H5 | 54.8° | 177.9° |
H4 | C33 | C34 | H6 | 65.0° | 57.7° |
H5 | C34 | C35 | H7 | 55.8° | 57.7° |
H5 | C34 | C35 | H8 | 175.4° | 177.8° |
H6 | C34 | C35 | H7 | 64.0° | 62.4° |
H6 | C34 | C35 | H8 | 55.6° | 57.7° |
H7 | C35 | C36 | H9 | 55.8° | 60.8° |
H7 | C35 | C36 | H10 | 63.7° | 59.1° |
H8 | C35 | C36 | H9 | 175.4° | 59.3° |
H8 | C35 | C36 | H10 | 56.0° | 179.2° |
H11 | C37 | H12 | H13 | 120.0° | 120.0° |