7NC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C12 | doub | 1.36Å | 1.39Å | Aromatic |
C10 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
C16 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
C16 | C15 | sing | 1.36Å | 1.39Å | Aromatic |
C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
C9 | C | sing | 1.42Å | 1.49Å | Aromatic |
C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
C11 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
C8 | C5 | sing | 1.51Å | 1.49Å | |
C | C1 | sing | 1.46Å | 1.50Å | Aromatic |
C | C13 | doub | 1.40Å | 1.41Å | Aromatic |
C14 | C13 | sing | 1.36Å | 1.38Å | Aromatic |
C1 | C2 | sing | 1.47Å | 1.50Å | |
C5 | C6 | doub | 1.37Å | 1.36Å | |
C5 | N | sing | 1.33Å | 1.34Å | |
C6 | C7 | sing | 1.41Å | 1.38Å | |
C2 | O1 | doub | 1.21Å | 1.25Å | |
C2 | C3 | sing | 1.51Å | 1.51Å | |
N | C4 | doub | 1.32Å | 1.34Å | |
C3 | S | sing | 1.81Å | 1.75Å | |
C7 | O | doub | 1.22Å | 1.26Å | |
C7 | N1 | sing | 1.35Å | 1.31Å | |
C4 | N1 | sing | 1.36Å | 1.34Å | |
C4 | S | sing | 1.76Å | 1.73Å | |
C3 | H1 | sing | 1.09Å | 1.10Å | |
C3 | H2 | sing | 1.09Å | 1.10Å | |
C6 | H3 | sing | 1.08Å | 1.08Å | |
C8 | H5 | sing | 1.09Å | 1.10Å | |
C8 | H6 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.09Å | 1.10Å | |
C11 | H8 | sing | 1.08Å | 1.08Å | |
C12 | H9 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C16 | H11 | sing | 1.08Å | 1.08Å | |
C15 | H12 | sing | 1.08Å | 1.08Å | |
C14 | H13 | sing | 1.08Å | 1.08Å | |
C13 | H14 | sing | 1.08Å | 1.08Å | |
N1 | H16 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C12 | C10 | C9 | 121.2° | 120.8° |
C10 | C12 | C11 | 121.1° | 121.8° |
C10 | C12 | H9 | 119.5° | 119.0° |
C12 | C10 | H10 | 119.4° | 119.6° |
C10 | C9 | C16 | 119.7° | 121.3° |
C10 | C9 | C | 120.2° | 119.4° |
C9 | C10 | H10 | 119.4° | 119.6° |
C9 | C16 | C15 | 116.3° | 119.6° |
C16 | C9 | C | 120.1° | 119.3° |
C9 | C16 | H11 | 121.8° | 120.2° |
C16 | C15 | C14 | 124.5° | 120.9° |
C15 | C16 | H11 | 121.9° | 120.2° |
C16 | C15 | H12 | 117.7° | 119.5° |
C12 | C11 | C1 | 122.7° | 120.6° |
C12 | C11 | H8 | 118.7° | 119.7° |
C11 | C12 | H9 | 119.5° | 119.1° |
C9 | C | C1 | 116.3° | 118.9° |
C9 | C | C13 | 119.8° | 119.6° |
C15 | C14 | C13 | 121.1° | 120.9° |
C14 | C15 | H12 | 117.8° | 119.5° |
C15 | C14 | H13 | 119.5° | 119.5° |
C11 | C1 | C | 118.4° | 118.6° |
C11 | C1 | C2 | 120.5° | 120.7° |
C1 | C11 | H8 | 118.7° | 119.7° |
C8 | C5 | C6 | 118.3° | 119.9° |
C8 | C5 | N | 119.2° | 120.0° |
C5 | C8 | H5 | 109.5° | 109.5° |
C5 | C8 | H6 | 109.5° | 109.4° |
C5 | C8 | H7 | 109.5° | 109.5° |
C1 | C | C13 | 123.8° | 121.5° |
C | C1 | C2 | 121.0° | 120.7° |
C | C13 | C14 | 117.9° | 119.6° |
C | C13 | H14 | 121.0° | 120.2° |
C13 | C14 | H13 | 119.4° | 119.5° |
C14 | C13 | H14 | 121.1° | 120.2° |
C1 | C2 | O1 | 119.6° | 120.0° |
C1 | C2 | C3 | 120.6° | 120.0° |
C6 | C5 | N | 122.4° | 120.1° |
C5 | C6 | C7 | 118.4° | 119.0° |
C5 | C6 | H3 | 120.8° | 120.5° |
C5 | N | C4 | 118.0° | 121.4° |
C6 | C7 | O | 121.3° | 120.7° |
C6 | C7 | N1 | 117.9° | 118.7° |
C7 | C6 | H3 | 120.8° | 120.5° |
O1 | C2 | C3 | 119.7° | 120.0° |
C2 | C3 | S | 109.3° | 109.5° |
C2 | C3 | H1 | 109.5° | 109.5° |
C2 | C3 | H2 | 109.5° | 109.5° |
N | C4 | N1 | 119.7° | 121.1° |
N | C4 | S | 118.4° | 119.5° |
C3 | S | C4 | 102.7° | 100.0° |
S | C3 | H1 | 109.5° | 109.4° |
S | C3 | H2 | 109.5° | 109.5° |
O | C7 | N1 | 120.7° | 120.6° |
C7 | N1 | C4 | 123.6° | 119.8° |
C7 | N1 | H16 | 118.2° | 120.1° |
N1 | C4 | S | 121.8° | 119.4° |
C4 | N1 | H16 | 118.2° | 120.1° |
H1 | C3 | H2 | 109.5° | 109.4° |
H5 | C8 | H6 | 109.4° | 109.5° |
H5 | C8 | H7 | 109.5° | 109.5° |
H6 | C8 | H7 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C12 | C10 | C9 | H10 | 180.0° | 180.0° |
C12 | C10 | C9 | C16 | 177.8° | 180.0° |
C10 | C12 | C11 | H9 | 180.0° | 179.9° |
C12 | C10 | C9 | C | 3.6° | 0.3° |
C10 | C12 | C11 | C1 | 4.1° | 0.1° |
C10 | C12 | C11 | H8 | 175.9° | 180.0° |
C10 | C9 | C16 | C | 178.6° | 179.8° |
C10 | C9 | C16 | C15 | 179.0° | 180.0° |
C9 | C10 | C12 | C11 | 5.1° | 0.1° |
C10 | C9 | C | C1 | 1.1° | 0.6° |
C10 | C9 | C | C13 | 179.2° | 179.6° |
C9 | C10 | C12 | H9 | 174.9° | 180.0° |
C10 | C9 | C16 | H11 | 1.0° | 0.0° |
C9 | C16 | C15 | H11 | 180.0° | 180.0° |
C9 | C16 | C15 | C14 | 4.7° | 0.0° |
C16 | C9 | C | C1 | 179.8° | 179.7° |
C16 | C9 | C | C13 | 2.2° | 0.6° |
C16 | C9 | C10 | H10 | 2.2° | 0.0° |
C9 | C16 | C15 | H12 | 175.3° | 180.0° |
C15 | C16 | C9 | C | 2.4° | 0.3° |
C16 | C15 | C14 | H12 | 180.0° | 180.0° |
C16 | C15 | C14 | C13 | 6.8° | 0.0° |
C16 | C15 | C14 | H13 | 173.2° | 180.0° |
C12 | C11 | C1 | H8 | 180.0° | 179.9° |
C12 | C11 | C1 | C | 1.7° | 0.2° |
C12 | C11 | C1 | C2 | 176.0° | 180.0° |
C11 | C12 | C10 | H10 | 175.0° | 180.0° |
C9 | C | C1 | C11 | 0.2° | 0.5° |
C9 | C | C1 | C13 | 177.9° | 179.1° |
C9 | C | C13 | C14 | 3.9° | 0.7° |
C9 | C | C1 | C2 | 177.4° | 179.7° |
C | C9 | C10 | H10 | 176.5° | 179.7° |
C | C9 | C16 | H11 | 177.6° | 179.7° |
C9 | C | C13 | H14 | 176.0° | 179.7° |
C15 | C14 | C13 | C | 6.1° | 0.4° |
C15 | C14 | C13 | H13 | 180.0° | 179.9° |
C14 | C15 | C16 | H11 | 175.3° | 180.0° |
C15 | C14 | C13 | H14 | 173.8° | 180.0° |
C11 | C1 | C | C2 | 177.6° | 179.8° |
C11 | C1 | C | C13 | 178.1° | 179.6° |
C11 | C1 | C2 | O1 | 157.2° | 174.4° |
C11 | C1 | C2 | C3 | 19.8° | 6.0° |
C1 | C11 | C12 | H9 | 175.9° | 180.0° |
C8 | C5 | C6 | N | 176.1° | 179.8° |
C8 | C5 | C6 | C7 | 175.8° | 180.0° |
C8 | C5 | N | C4 | 177.1° | 179.7° |
C8 | C5 | C6 | H3 | 4.2° | 0.0° |
C5 | C8 | H5 | H6 | 120.0° | 120.0° |
C5 | C8 | H5 | H7 | 120.0° | 120.0° |
C5 | C8 | H6 | H7 | 120.0° | 120.0° |
C1 | C | C13 | C14 | 178.2° | 179.7° |
C | C1 | C2 | O1 | 25.2° | 5.8° |
C | C1 | C2 | C3 | 157.8° | 173.8° |
C | C1 | C11 | H8 | 178.3° | 179.7° |
C1 | C | C13 | H14 | 1.8° | 0.6° |
C | C13 | C14 | H14 | 180.0° | 179.7° |
C13 | C | C1 | C2 | 0.5° | 0.6° |
C | C13 | C14 | H13 | 173.9° | 179.7° |
C13 | C14 | C15 | H12 | 173.2° | 180.0° |
C1 | C2 | O1 | C3 | 177.0° | 179.6° |
C1 | C2 | C3 | S | 165.8° | 179.7° |
C1 | C2 | C3 | H1 | 74.2° | 59.6° |
C1 | C2 | C3 | H2 | 45.8° | 60.3° |
C2 | C1 | C11 | H8 | 4.1° | 0.1° |
C5 | C6 | C7 | H3 | 180.0° | 180.0° |
C6 | C5 | N | C4 | 1.1° | 0.5° |
C5 | C6 | C7 | O | 176.8° | 180.0° |
C5 | C6 | C7 | N1 | 0.3° | 0.0° |
C6 | C5 | C8 | H5 | 176.2° | 90.0° |
C6 | C5 | C8 | H6 | 63.8° | 150.0° |
C6 | C5 | C8 | H7 | 56.2° | 30.0° |
N | C5 | C6 | C7 | 0.3° | 0.2° |
C5 | N | C4 | N1 | 2.4° | 0.5° |
C5 | N | C4 | S | 179.8° | 179.8° |
N | C5 | C6 | H3 | 179.7° | 179.8° |
N | C5 | C8 | H5 | 0.0° | 89.8° |
N | C5 | C8 | H6 | 120.0° | 30.3° |
N | C5 | C8 | H7 | 120.0° | 150.2° |
C6 | C7 | O | N1 | 176.4° | 179.9° |
C6 | C7 | N1 | C4 | 1.1° | 0.1° |
C6 | C7 | N1 | H16 | 178.9° | 180.0° |
O1 | C2 | C3 | S | 11.2° | 0.0° |
O1 | C2 | C3 | H1 | 108.8° | 120.0° |
O1 | C2 | C3 | H2 | 131.2° | 120.1° |
C2 | C3 | S | H1 | 120.0° | 120.1° |
C2 | C3 | S | H2 | 120.0° | 120.0° |
C2 | C3 | S | C4 | 83.3° | 180.0° |
C2 | C3 | H1 | H2 | 120.1° | 120.0° |
N | C4 | S | C3 | 18.2° | 0.3° |
N | C4 | N1 | C7 | 2.5° | 0.2° |
N | C4 | N1 | S | 177.7° | 179.7° |
N | C4 | N1 | H16 | 177.5° | 179.8° |
C3 | S | C4 | N1 | 164.1° | 180.0° |
S | C3 | H1 | H2 | 120.0° | 119.9° |
O | C7 | N1 | C4 | 175.4° | 180.0° |
O | C7 | C6 | H3 | 3.2° | 0.0° |
O | C7 | N1 | H16 | 4.6° | 0.1° |
C7 | N1 | C4 | H16 | 180.0° | 179.9° |
C7 | N1 | C4 | S | 179.8° | 179.9° |
N1 | C7 | C6 | H3 | 179.7° | 179.9° |
C4 | S | C3 | H1 | 156.7° | 60.0° |
C4 | S | C3 | H2 | 36.7° | 59.9° |
S | C4 | N1 | H16 | 0.2° | 0.0° |
H5 | C8 | H6 | H7 | 119.9° | 120.0° |
H8 | C11 | C12 | H9 | 4.2° | 0.0° |
H9 | C12 | C10 | H10 | 5.1° | 0.0° |
H11 | C16 | C15 | H12 | 4.7° | 0.0° |
H12 | C15 | C14 | H13 | 6.8° | 0.1° |
H13 | C14 | C13 | H14 | 6.2° | 0.0° |