N7V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | C02 | doub | 1.39Å | 1.37Å | Aromatic |
C01 | C06 | sing | 1.39Å | 1.33Å | Aromatic |
C01 | N07 | sing | 1.40Å | 1.34Å | |
C02 | C03 | sing | 1.39Å | 1.47Å | Aromatic |
C02 | O09 | sing | 1.36Å | 1.35Å | |
C03 | C04 | doub | 1.38Å | 1.43Å | Aromatic |
C04 | C05 | sing | 1.38Å | 1.30Å | Aromatic |
C05 | C06 | doub | 1.38Å | 1.28Å | Aromatic |
C05 | S10 | sing | 1.76Å | 2.13Å | |
N07 | C08 | sing | 1.35Å | 1.31Å | |
N07 | C15 | sing | 1.46Å | 1.49Å | |
C08 | O09 | sing | 1.34Å | 1.34Å | |
C08 | O14 | doub | 1.22Å | 1.17Å | |
S10 | O11 | doub | 1.42Å | 1.38Å | |
S10 | O12 | doub | 1.42Å | 1.39Å | |
S10 | N13 | sing | 1.66Å | 1.68Å | |
C15 | C16 | sing | 1.51Å | 1.52Å | |
C15 | C17 | sing | 1.53Å | 1.50Å | |
C16 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
C16 | C22 | sing | 1.38Å | 1.36Å | Aromatic |
C18 | C19 | sing | 1.38Å | 1.36Å | Aromatic |
C19 | C20 | doub | 1.38Å | 1.33Å | Aromatic |
C20 | C21 | sing | 1.38Å | 1.35Å | Aromatic |
C20 | N23 | sing | 1.48Å | 1.43Å | |
C21 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
N23 | O24 | sing | 1.22Å | 1.13Å | |
N23 | O25 | doub | 1.22Å | 1.39Å | |
C03 | H1 | sing | 1.08Å | 1.08Å | |
C06 | H2 | sing | 1.08Å | 1.08Å | |
N13 | H5 | sing | 0.97Å | 1.00Å | |
N13 | H6 | sing | 0.97Å | 1.00Å | |
C15 | H7 | sing | 1.09Å | 1.10Å | |
C17 | H8 | sing | 1.09Å | 1.10Å | |
C17 | H9 | sing | 1.09Å | 1.10Å | |
C17 | H10 | sing | 1.09Å | 1.10Å | |
C18 | H11 | sing | 1.08Å | 1.08Å | |
C19 | H12 | sing | 1.08Å | 1.08Å | |
C21 | H13 | sing | 1.08Å | 1.08Å | |
C22 | H14 | sing | 1.08Å | 1.08Å | |
C04 | H15 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C02 | C01 | C06 | 124.5° | 120.0° |
C02 | C01 | N07 | 114.5° | 106.6° |
C01 | C02 | C03 | 116.2° | 119.7° |
C01 | C02 | O09 | 99.5° | 107.3° |
C06 | C01 | N07 | 121.0° | 133.4° |
C01 | C06 | C05 | 120.1° | 119.8° |
C01 | C06 | H2 | 119.9° | 120.1° |
C01 | N07 | C08 | 104.7° | 107.5° |
C01 | N07 | C15 | 125.2° | 126.3° |
C03 | C02 | O09 | 144.2° | 133.0° |
C02 | C03 | C04 | 113.1° | 119.9° |
C02 | C03 | H1 | 123.4° | 120.1° |
C02 | O09 | C08 | 112.5° | 109.2° |
C03 | C04 | C05 | 124.4° | 120.3° |
C04 | C03 | H1 | 123.5° | 120.0° |
C03 | C04 | H15 | 117.8° | 119.9° |
C04 | C05 | C06 | 121.8° | 120.2° |
C04 | C05 | S10 | 57.3° | 119.9° |
C05 | C04 | H15 | 117.8° | 119.9° |
C06 | C05 | S10 | 177.2° | 119.9° |
C05 | C06 | H2 | 120.0° | 120.1° |
C05 | S10 | O11 | 97.3° | 106.4° |
C05 | S10 | O12 | 140.4° | 106.4° |
C05 | S10 | N13 | 86.7° | 107.2° |
C08 | N07 | C15 | 130.2° | 126.2° |
N07 | C08 | O09 | 108.8° | 109.5° |
N07 | C08 | O14 | 118.3° | 125.3° |
N07 | C15 | C16 | 111.0° | 109.5° |
N07 | C15 | C17 | 122.1° | 109.5° |
N07 | C15 | H7 | 104.7° | 109.5° |
O09 | C08 | O14 | 133.0° | 125.3° |
O11 | S10 | O12 | 109.2° | 123.2° |
O11 | S10 | N13 | 102.0° | 106.4° |
O12 | S10 | N13 | 114.6° | 106.4° |
S10 | N13 | H5 | 109.5° | 120.0° |
S10 | N13 | H6 | 109.5° | 120.0° |
C16 | C15 | C17 | 108.3° | 109.5° |
C15 | C16 | C18 | 115.5° | 120.0° |
C15 | C16 | C22 | 124.5° | 120.0° |
C16 | C15 | H7 | 104.5° | 109.5° |
C17 | C15 | H7 | 104.6° | 109.4° |
C15 | C17 | H8 | 109.5° | 109.5° |
C15 | C17 | H9 | 109.5° | 109.4° |
C15 | C17 | H10 | 109.5° | 109.5° |
C18 | C16 | C22 | 119.9° | 120.0° |
C16 | C18 | C19 | 122.3° | 120.0° |
C16 | C18 | H11 | 118.8° | 120.0° |
C16 | C22 | C21 | 116.3° | 120.0° |
C16 | C22 | H14 | 121.9° | 120.0° |
C18 | C19 | C20 | 117.8° | 120.0° |
C19 | C18 | H11 | 118.8° | 120.0° |
C18 | C19 | H12 | 121.1° | 120.0° |
C19 | C20 | C21 | 120.3° | 120.0° |
C19 | C20 | N23 | 117.5° | 120.0° |
C20 | C19 | H12 | 121.1° | 120.0° |
C21 | C20 | N23 | 121.7° | 120.0° |
C20 | C21 | C22 | 123.3° | 120.0° |
C20 | C21 | H13 | 118.4° | 120.1° |
C20 | N23 | O24 | 116.5° | 120.0° |
C20 | N23 | O25 | 124.5° | 120.0° |
C22 | C21 | H13 | 118.4° | 119.9° |
C21 | C22 | H14 | 121.9° | 120.0° |
O24 | N23 | O25 | 118.1° | 120.0° |
H5 | N13 | H6 | 109.5° | 119.9° |
H8 | C17 | H9 | 109.5° | 109.5° |
H8 | C17 | H10 | 109.4° | 109.5° |
H9 | C17 | H10 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C02 | C01 | C06 | N07 | 179.4° | 179.7° |
C01 | C02 | C03 | O09 | 177.2° | 180.0° |
C01 | C02 | C03 | C04 | 2.0° | 0.1° |
C02 | C01 | C06 | C05 | 1.0° | 0.1° |
C02 | C01 | N07 | C08 | 0.9° | 0.0° |
C02 | C01 | N07 | C15 | 179.1° | 180.0° |
C01 | C02 | O09 | C08 | 0.5° | 0.3° |
C01 | C02 | C03 | H1 | 178.0° | 180.0° |
C02 | C01 | C06 | H2 | 179.0° | 180.0° |
C06 | C01 | C02 | C03 | 0.2° | 0.1° |
C06 | C01 | C02 | O09 | 178.6° | 180.0° |
C01 | C06 | C05 | C04 | 0.1° | 0.1° |
C01 | C06 | C05 | H2 | 180.0° | 179.9° |
C01 | C06 | C05 | S10 | 68.6° | 179.9° |
C06 | C01 | N07 | C08 | 178.5° | 179.7° |
C06 | C01 | N07 | C15 | 1.4° | 0.3° |
N07 | C01 | C02 | C03 | 179.2° | 179.8° |
N07 | C01 | C02 | O09 | 0.9° | 0.2° |
N07 | C01 | C06 | C05 | 179.6° | 179.8° |
C01 | N07 | C08 | C15 | 179.9° | 180.0° |
C01 | N07 | C08 | O09 | 0.6° | 0.2° |
C01 | N07 | C08 | O14 | 179.3° | 180.0° |
C01 | N07 | C15 | C16 | 104.4° | 110.7° |
C01 | N07 | C15 | C17 | 25.2° | 129.3° |
N07 | C01 | C06 | H2 | 0.4° | 0.3° |
C01 | N07 | C15 | H7 | 143.5° | 9.3° |
C02 | C03 | C04 | H1 | 180.0° | 179.9° |
C02 | C03 | C04 | C05 | 2.9° | 0.1° |
C03 | C02 | O09 | C08 | 177.9° | 179.7° |
C02 | C03 | C04 | H15 | 177.1° | 180.0° |
O09 | C02 | C03 | C04 | 179.2° | 180.0° |
C02 | O09 | C08 | N07 | 0.0° | 0.3° |
C02 | O09 | C08 | O14 | 179.9° | 179.8° |
O09 | C02 | C03 | H1 | 0.9° | 0.0° |
C03 | C04 | C05 | H15 | 180.0° | 179.9° |
C03 | C04 | C05 | C06 | 1.9° | 0.1° |
C03 | C04 | C05 | S10 | 174.9° | 179.9° |
C04 | C05 | C06 | S10 | 68.5° | 179.9° |
C04 | C05 | S10 | O11 | 110.9° | 156.5° |
C04 | C05 | S10 | O12 | 21.6° | 23.6° |
C04 | C05 | S10 | N13 | 147.4° | 89.9° |
C05 | C04 | C03 | H1 | 177.1° | 179.9° |
C04 | C05 | C06 | H2 | 179.8° | 179.9° |
C06 | C05 | S10 | O11 | 40.7° | 23.6° |
C06 | C05 | S10 | O12 | 91.8° | 156.5° |
C06 | C05 | S10 | N13 | 142.4° | 90.0° |
C06 | C05 | C04 | H15 | 178.0° | 180.0° |
C05 | S10 | O11 | O12 | 150.2° | 122.9° |
C05 | S10 | O11 | N13 | 88.1° | 114.1° |
C05 | S10 | O12 | N13 | 117.0° | 114.1° |
S10 | C05 | C06 | H2 | 111.3° | 0.0° |
C05 | S10 | N13 | H5 | 180.0° | 0.1° |
C05 | S10 | N13 | H6 | 60.0° | 180.0° |
S10 | C05 | C04 | H15 | 5.1° | 0.0° |
N07 | C08 | O09 | O14 | 179.9° | 179.9° |
C08 | N07 | C15 | C16 | 75.8° | 69.3° |
C08 | N07 | C15 | C17 | 154.7° | 50.8° |
C08 | N07 | C15 | H7 | 36.4° | 170.7° |
C15 | N07 | C08 | O09 | 179.5° | 179.8° |
C15 | N07 | C08 | O14 | 0.6° | 0.0° |
N07 | C15 | C16 | C17 | 136.6° | 120.1° |
N07 | C15 | C16 | H7 | 112.3° | 120.0° |
N07 | C15 | C17 | H7 | 118.3° | 120.0° |
N07 | C15 | C16 | C18 | 132.4° | 152.5° |
N07 | C15 | C16 | C22 | 43.8° | 27.8° |
N07 | C15 | C17 | H8 | 180.0° | 60.0° |
N07 | C15 | C17 | H9 | 60.0° | 60.0° |
N07 | C15 | C17 | H10 | 60.0° | 180.0° |
O11 | S10 | O12 | N13 | 113.7° | 123.0° |
O11 | S10 | N13 | H5 | 83.2° | 113.5° |
O11 | S10 | N13 | H6 | 156.8° | 66.5° |
O12 | S10 | N13 | H5 | 34.7° | 113.6° |
O12 | S10 | N13 | H6 | 85.3° | 66.5° |
S10 | N13 | H5 | H6 | 120.0° | 180.0° |
C16 | C15 | C17 | H7 | 111.0° | 120.0° |
C15 | C16 | C18 | C22 | 176.4° | 179.7° |
C15 | C16 | C18 | C19 | 176.6° | 180.0° |
C15 | C16 | C22 | C21 | 176.5° | 179.8° |
C16 | C15 | C17 | H8 | 49.3° | 180.0° |
C16 | C15 | C17 | H9 | 169.3° | 60.0° |
C16 | C15 | C17 | H10 | 70.7° | 60.0° |
C15 | C16 | C18 | H11 | 3.4° | 0.1° |
C15 | C16 | C22 | H14 | 3.5° | 0.0° |
C17 | C15 | C16 | C18 | 91.0° | 87.4° |
C17 | C15 | C16 | C22 | 92.7° | 92.3° |
C15 | C17 | H8 | H9 | 120.0° | 120.0° |
C15 | C17 | H8 | H10 | 120.0° | 120.0° |
C15 | C17 | H9 | H10 | 120.0° | 120.0° |
C16 | C18 | C19 | H11 | 180.0° | 179.9° |
C16 | C18 | C19 | C20 | 2.1° | 0.1° |
C18 | C16 | C22 | C21 | 0.4° | 0.5° |
C18 | C16 | C15 | H7 | 20.1° | 32.6° |
C16 | C18 | C19 | H12 | 177.9° | 180.0° |
C18 | C16 | C22 | H14 | 179.6° | 179.7° |
C22 | C16 | C18 | C19 | 0.2° | 0.3° |
C16 | C22 | C21 | C20 | 1.7° | 0.4° |
C16 | C22 | C21 | H14 | 180.0° | 179.8° |
C22 | C16 | C15 | H7 | 156.2° | 147.7° |
C22 | C16 | C18 | H11 | 179.8° | 179.8° |
C16 | C22 | C21 | H13 | 178.4° | 179.7° |
C18 | C19 | C20 | H12 | 180.0° | 180.0° |
C18 | C19 | C20 | C21 | 4.1° | 0.0° |
C18 | C19 | C20 | N23 | 176.3° | 180.0° |
C19 | C20 | C21 | N23 | 171.9° | 180.0° |
C19 | C20 | C21 | C22 | 4.1° | 0.1° |
C19 | C20 | N23 | O24 | 149.7° | 0.1° |
C19 | C20 | N23 | O25 | 19.3° | 180.0° |
C20 | C19 | C18 | H11 | 177.9° | 180.0° |
C19 | C20 | C21 | H13 | 176.0° | 179.9° |
C20 | C21 | C22 | H13 | 180.0° | 179.9° |
C21 | C20 | N23 | O24 | 22.4° | 180.0° |
C21 | C20 | N23 | O25 | 168.5° | 0.0° |
C21 | C20 | C19 | H12 | 175.9° | 180.0° |
C20 | C21 | C22 | H14 | 178.3° | 179.8° |
N23 | C20 | C21 | C22 | 176.0° | 179.9° |
C20 | N23 | O24 | O25 | 169.8° | 179.9° |
N23 | C20 | C19 | H12 | 3.7° | 0.0° |
N23 | C20 | C21 | H13 | 4.1° | 0.1° |
H1 | C03 | C04 | H15 | 2.9° | 0.1° |
H7 | C15 | C17 | H8 | 61.7° | 60.0° |
H7 | C15 | C17 | H9 | 58.3° | 180.0° |
H7 | C15 | C17 | H10 | 178.3° | 60.0° |
H8 | C17 | H9 | H10 | 120.0° | 120.0° |
H11 | C18 | C19 | H12 | 2.1° | 0.0° |
H13 | C21 | C22 | H14 | 1.7° | 0.2° |