V3N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | C02 | sing | 1.47Å | 1.53Å | |
C02 | C17 | doub | 1.40Å | 1.39Å | Aromatic |
C02 | C03 | sing | 1.40Å | 1.38Å | Aromatic |
C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
C16 | C05 | doub | 1.40Å | 1.38Å | Aromatic |
C04 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
C05 | C06 | sing | 1.48Å | 1.51Å | |
C10 | C11 | sing | 1.53Å | 1.53Å | |
C10 | C09 | sing | 1.53Å | 1.47Å | |
C11 | O12 | sing | 1.43Å | 1.47Å | |
C06 | N07 | sing | 1.35Å | 1.44Å | |
C06 | O15 | doub | 1.21Å | 1.18Å | |
N07 | C08 | sing | 1.46Å | 1.44Å | |
C09 | C08 | sing | 1.53Å | 1.52Å | |
C09 | C14 | sing | 1.53Å | 1.46Å | |
O12 | C13 | sing | 1.43Å | 1.47Å | |
C14 | C13 | sing | 1.53Å | 1.52Å | |
C01 | H1 | sing | 1.08Å | 1.08Å | |
C03 | H4 | sing | 1.08Å | 1.08Å | |
C04 | H5 | sing | 1.08Å | 1.08Å | |
C08 | H6 | sing | 1.09Å | 1.10Å | |
C08 | H7 | sing | 1.09Å | 1.10Å | |
C09 | H8 | sing | 1.09Å | 1.10Å | |
C10 | H9 | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H12 | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H14 | sing | 1.09Å | 1.10Å | |
C14 | H15 | sing | 1.09Å | 1.10Å | |
C14 | H16 | sing | 1.09Å | 1.10Å | |
C16 | H17 | sing | 1.08Å | 1.08Å | |
C17 | H18 | sing | 1.08Å | 1.08Å | |
N07 | H19 | sing | 0.97Å | 1.00Å | |
C01 | O1 | doub | 1.21Å | 1.43Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | C02 | C17 | 120.8° | 120.0° |
C01 | C02 | C03 | 118.9° | 120.1° |
C02 | C01 | H1 | 126.6° | 120.0° |
C02 | C01 | O1 | 106.7° | 120.0° |
C17 | C02 | C03 | 120.3° | 119.9° |
C02 | C17 | C16 | 120.2° | 119.9° |
C02 | C17 | H18 | 119.9° | 120.1° |
C02 | C03 | C04 | 119.8° | 120.0° |
C02 | C03 | H4 | 120.1° | 120.0° |
C17 | C16 | C05 | 119.1° | 120.0° |
C17 | C16 | H17 | 120.4° | 120.0° |
C16 | C17 | H18 | 119.9° | 120.0° |
C03 | C04 | C05 | 119.5° | 120.0° |
C04 | C03 | H4 | 120.1° | 120.0° |
C03 | C04 | H5 | 120.2° | 120.0° |
C16 | C05 | C04 | 121.0° | 120.1° |
C16 | C05 | C06 | 120.8° | 120.0° |
C05 | C16 | H17 | 120.4° | 120.0° |
C04 | C05 | C06 | 118.2° | 119.9° |
C05 | C04 | H5 | 120.2° | 120.0° |
C05 | C06 | N07 | 116.0° | 120.0° |
C05 | C06 | O15 | 121.8° | 120.0° |
C11 | C10 | C09 | 115.0° | 109.2° |
C10 | C11 | O12 | 115.9° | 109.4° |
C11 | C10 | H9 | 108.1° | 109.5° |
C11 | C10 | H10 | 108.1° | 109.6° |
C10 | C11 | H11 | 107.9° | 109.5° |
C10 | C11 | H12 | 107.9° | 109.5° |
C10 | C09 | C08 | 108.9° | 109.5° |
C10 | C09 | C14 | 114.7° | 109.0° |
C10 | C09 | H8 | 106.8° | 109.6° |
C09 | C10 | H9 | 108.1° | 109.5° |
C09 | C10 | H10 | 108.1° | 109.5° |
C11 | O12 | C13 | 117.0° | 114.1° |
O12 | C11 | H11 | 107.8° | 109.5° |
O12 | C11 | H12 | 107.8° | 109.4° |
N07 | C06 | O15 | 122.2° | 120.0° |
C06 | N07 | C08 | 123.3° | 120.0° |
C06 | N07 | H19 | 118.4° | 120.0° |
N07 | C08 | C09 | 99.9° | 109.5° |
N07 | C08 | H6 | 111.8° | 109.5° |
N07 | C08 | H7 | 111.8° | 109.5° |
C08 | N07 | H19 | 118.3° | 120.0° |
C08 | C09 | C14 | 112.9° | 109.5° |
C09 | C08 | H6 | 111.8° | 109.5° |
C09 | C08 | H7 | 111.8° | 109.5° |
C08 | C09 | H8 | 106.2° | 109.5° |
C09 | C14 | C13 | 112.6° | 109.2° |
C14 | C09 | H8 | 106.9° | 109.6° |
C09 | C14 | H15 | 108.7° | 109.6° |
C09 | C14 | H16 | 108.7° | 109.5° |
O12 | C13 | C14 | 115.3° | 109.4° |
O12 | C13 | H13 | 108.0° | 109.5° |
O12 | C13 | H14 | 108.0° | 109.5° |
C14 | C13 | H13 | 108.0° | 109.5° |
C14 | C13 | H14 | 108.0° | 109.5° |
C13 | C14 | H15 | 108.7° | 109.5° |
C13 | C14 | H16 | 108.7° | 109.5° |
H1 | C01 | O1 | 126.7° | 120.0° |
H6 | C08 | H7 | 109.5° | 109.4° |
H9 | C10 | H10 | 109.5° | 109.6° |
H11 | C11 | H12 | 109.5° | 109.5° |
H13 | C13 | H14 | 109.5° | 109.5° |
H15 | C14 | H16 | 109.5° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | C02 | C17 | C03 | 178.9° | 179.8° |
C01 | C02 | C17 | C16 | 179.5° | 179.7° |
C01 | C02 | C03 | C04 | 179.8° | 180.0° |
C02 | C01 | H1 | O1 | 180.0° | 179.8° |
C01 | C02 | C03 | H4 | 0.2° | 0.1° |
C01 | C02 | C17 | H18 | 0.5° | 0.0° |
C02 | C17 | C16 | H18 | 180.0° | 179.7° |
C17 | C02 | C03 | C04 | 0.9° | 0.2° |
C02 | C17 | C16 | C05 | 0.9° | 0.5° |
C17 | C02 | C01 | H1 | 123.3° | 180.0° |
C17 | C02 | C03 | H4 | 179.1° | 179.7° |
C02 | C17 | C16 | H17 | 179.1° | 179.7° |
C17 | C02 | C01 | O1 | 56.7° | 0.2° |
C03 | C02 | C17 | C16 | 0.6° | 0.5° |
C02 | C03 | C04 | H4 | 180.0° | 179.9° |
C02 | C03 | C04 | C05 | 1.4° | 0.1° |
C03 | C02 | C01 | H1 | 55.6° | 0.2° |
C02 | C03 | C04 | H5 | 178.5° | 179.9° |
C03 | C02 | C17 | H18 | 179.4° | 179.7° |
C03 | C02 | C01 | O1 | 124.4° | 180.0° |
C17 | C16 | C05 | H17 | 180.0° | 179.8° |
C17 | C16 | C05 | C04 | 1.5° | 0.2° |
C17 | C16 | C05 | C06 | 179.6° | 179.7° |
C03 | C04 | C05 | C16 | 1.8° | 0.1° |
C03 | C04 | C05 | H5 | 180.0° | 180.0° |
C03 | C04 | C05 | C06 | 180.0° | 180.0° |
C16 | C05 | C04 | C06 | 178.2° | 179.9° |
C16 | C05 | C06 | N07 | 151.6° | 0.1° |
C16 | C05 | C06 | O15 | 28.7° | 180.0° |
C16 | C05 | C04 | H5 | 178.2° | 179.9° |
C05 | C16 | C17 | H18 | 179.1° | 179.8° |
C04 | C05 | C06 | N07 | 26.6° | 180.0° |
C04 | C05 | C06 | O15 | 153.0° | 0.0° |
C05 | C04 | C03 | H4 | 178.6° | 180.0° |
C04 | C05 | C16 | H17 | 178.5° | 180.0° |
C05 | C06 | N07 | O15 | 179.6° | 180.0° |
C05 | C06 | N07 | C08 | 179.1° | 180.0° |
C06 | C05 | C04 | H5 | 0.0° | 0.0° |
C06 | C05 | C16 | H17 | 0.4° | 0.0° |
C05 | C06 | N07 | H19 | 0.9° | 0.0° |
C11 | C10 | C09 | H9 | 120.8° | 119.9° |
C11 | C10 | C09 | H10 | 120.8° | 119.9° |
C10 | C11 | O12 | H11 | 120.9° | 120.0° |
C10 | C11 | O12 | H12 | 121.0° | 120.0° |
C11 | C10 | C09 | C08 | 99.1° | 176.9° |
C11 | C10 | C09 | C14 | 28.4° | 57.0° |
C10 | C11 | O12 | C13 | 41.0° | 61.2° |
C11 | C10 | C09 | H8 | 146.6° | 62.9° |
C11 | C10 | H9 | H10 | 117.5° | 120.2° |
C10 | C11 | H11 | H12 | 117.1° | 120.1° |
C09 | C10 | C11 | O12 | 19.6° | 57.7° |
C10 | C09 | C08 | N07 | 75.7° | 65.5° |
C10 | C09 | C08 | C14 | 128.6° | 119.5° |
C10 | C09 | C08 | H8 | 114.7° | 120.3° |
C10 | C09 | C14 | H8 | 118.1° | 120.0° |
C10 | C09 | C14 | C13 | 55.8° | 57.0° |
C10 | C09 | C08 | H6 | 42.7° | 174.5° |
C10 | C09 | C08 | H7 | 165.8° | 54.6° |
C09 | C10 | H9 | H10 | 117.5° | 120.1° |
C09 | C10 | C11 | H11 | 101.3° | 62.3° |
C09 | C10 | C11 | H12 | 140.5° | 177.6° |
C10 | C09 | C14 | H15 | 176.2° | 62.9° |
C10 | C09 | C14 | H16 | 64.7° | 176.9° |
C11 | O12 | C13 | C14 | 13.7° | 61.2° |
O12 | C11 | C10 | H9 | 101.2° | 177.5° |
O12 | C11 | C10 | H10 | 140.4° | 62.3° |
O12 | C11 | H11 | H12 | 117.1° | 120.0° |
C11 | O12 | C13 | H13 | 107.2° | 178.9° |
C11 | O12 | C13 | H14 | 134.5° | 58.8° |
C06 | N07 | C08 | H19 | 180.0° | 180.0° |
C06 | N07 | C08 | C09 | 143.1° | 180.0° |
C06 | N07 | C08 | H6 | 24.7° | 60.0° |
C06 | N07 | C08 | H7 | 98.5° | 60.0° |
O15 | C06 | N07 | C08 | 1.3° | 0.0° |
O15 | C06 | N07 | H19 | 178.7° | 180.0° |
N07 | C08 | C09 | H6 | 118.4° | 120.0° |
N07 | C08 | C09 | H7 | 118.4° | 120.0° |
N07 | C08 | C09 | C14 | 155.7° | 175.0° |
N07 | C08 | H6 | H7 | 124.5° | 120.0° |
N07 | C08 | C09 | H8 | 38.9° | 54.8° |
C08 | C09 | C14 | H8 | 116.4° | 120.2° |
C08 | C09 | C14 | C13 | 69.7° | 176.9° |
C09 | C08 | H6 | H7 | 124.5° | 120.0° |
C08 | C09 | C10 | H9 | 21.7° | 63.2° |
C08 | C09 | C10 | H10 | 140.1° | 56.9° |
C08 | C09 | C14 | H15 | 50.7° | 56.9° |
C08 | C09 | C14 | H16 | 169.8° | 63.3° |
C09 | C08 | N07 | H19 | 36.9° | 0.0° |
C09 | C14 | C13 | O12 | 34.0° | 57.6° |
C09 | C14 | C13 | H15 | 120.5° | 120.0° |
C09 | C14 | C13 | H16 | 120.5° | 119.9° |
C14 | C09 | C08 | H6 | 85.9° | 55.0° |
C14 | C09 | C08 | H7 | 37.3° | 65.0° |
C14 | C09 | C10 | H9 | 149.2° | 176.9° |
C14 | C09 | C10 | H10 | 92.4° | 62.9° |
C09 | C14 | C13 | H13 | 154.8° | 177.6° |
C09 | C14 | C13 | H14 | 86.9° | 62.4° |
C09 | C14 | H15 | H16 | 118.6° | 120.2° |
O12 | C13 | C14 | H13 | 120.9° | 120.0° |
O12 | C13 | C14 | H14 | 120.8° | 120.0° |
C13 | O12 | C11 | H11 | 79.9° | 58.8° |
C13 | O12 | C11 | H12 | 162.0° | 178.8° |
O12 | C13 | H13 | H14 | 117.3° | 120.0° |
O12 | C13 | C14 | H15 | 154.4° | 62.3° |
O12 | C13 | C14 | H16 | 86.5° | 177.5° |
C13 | C14 | C09 | H8 | 173.9° | 63.0° |
C14 | C13 | H13 | H14 | 117.4° | 120.0° |
C13 | C14 | H15 | H16 | 118.6° | 120.1° |
H4 | C03 | C04 | H5 | 1.5° | 0.0° |
H6 | C08 | C09 | H8 | 157.4° | 65.2° |
H6 | C08 | N07 | H19 | 155.3° | 120.0° |
H7 | C08 | C09 | H8 | 79.5° | 174.8° |
H7 | C08 | N07 | H19 | 81.5° | 120.0° |
H8 | C09 | C10 | H9 | 92.6° | 57.0° |
H8 | C09 | C10 | H10 | 25.8° | 177.1° |
H8 | C09 | C14 | H15 | 65.7° | 177.1° |
H8 | C09 | C14 | H16 | 53.4° | 56.9° |
H9 | C10 | C11 | H11 | 137.9° | 57.5° |
H9 | C10 | C11 | H12 | 19.7° | 62.5° |
H10 | C10 | C11 | H11 | 19.5° | 177.7° |
H10 | C10 | C11 | H12 | 98.7° | 57.7° |
H13 | C13 | C14 | H15 | 84.7° | 57.7° |
H13 | C13 | C14 | H16 | 34.4° | 62.5° |
H14 | C13 | C14 | H15 | 33.6° | 177.7° |
H14 | C13 | C14 | H16 | 152.7° | 57.5° |
H17 | C16 | C17 | H18 | 0.9° | 0.0° |