6N2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C6 | N4 | sing | 1.46Å | 1.46Å | |
N4 | C5 | sing | 1.38Å | 1.34Å | |
C5 | N6 | doub | 1.31Å | 1.32Å | Aromatic |
C5 | N3 | sing | 1.36Å | 1.35Å | Aromatic |
N6 | C12 | sing | 1.36Å | 1.40Å | Aromatic |
N3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
C12 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
C13 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
C1 | N2 | sing | 1.40Å | 1.42Å | |
N2 | C | sing | 1.38Å | 1.37Å | |
C | N | doub | 1.30Å | 1.41Å | |
C | N1 | sing | 1.38Å | 1.33Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
N1 | H2 | sing | 0.97Å | 1.00Å | |
C2 | H3 | sing | 1.08Å | 1.08Å | |
N3 | H4 | sing | 0.97Å | 1.00Å | |
N4 | H5 | sing | 0.97Å | 1.00Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H7 | sing | 1.09Å | 1.10Å | |
N | H9 | sing | 0.97Å | 1.00Å | |
N2 | H10 | sing | 0.97Å | 1.00Å | |
C13 | H11 | sing | 1.08Å | 1.08Å | |
C3 | H12 | sing | 1.08Å | 1.08Å | |
C6 | C7 | sing | 1.53Å | 109.79Å | |
C7 | N5 | sing | 1.47Å | 0.00Å | |
N5 | C9 | sing | 1.47Å | 0.00Å | |
C9 | C10 | sing | 1.53Å | 0.00Å | |
C10 | O1 | sing | 1.43Å | 0.00Å | |
O1 | C14 | sing | 1.43Å | 0.00Å | |
C14 | C15 | sing | 1.53Å | 0.00Å | |
C15 | N5 | sing | 1.47Å | 0.00Å | |
C7 | H8 | sing | 1.09Å | 0.00Å | |
C7 | H13 | sing | 1.09Å | 0.00Å | |
C9 | H14 | sing | 1.09Å | 0.00Å | |
C9 | H15 | sing | 1.09Å | 0.00Å | |
C10 | H16 | sing | 1.09Å | 0.00Å | |
C10 | H17 | sing | 1.09Å | 0.00Å | |
C14 | H18 | sing | 1.09Å | 0.00Å | |
C14 | H19 | sing | 1.09Å | 0.00Å | |
C15 | H20 | sing | 1.09Å | 0.00Å | |
C15 | H21 | sing | 1.09Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C6 | N4 | C5 | 123.1° | 120.0° |
C6 | N4 | H5 | 106.0° | 120.1° |
N4 | C6 | H6 | 103.9° | 109.5° |
N4 | C6 | H7 | 103.9° | 109.5° |
N4 | C6 | C7 | 130.7° | 109.5° |
N4 | C5 | N6 | 125.9° | 125.1° |
N4 | C5 | N3 | 120.2° | 125.0° |
C5 | N4 | H5 | 106.0° | 120.0° |
N6 | C5 | N3 | 113.8° | 109.9° |
C5 | N6 | C12 | 104.3° | 109.6° |
C5 | N3 | C4 | 106.5° | 107.2° |
C5 | N3 | H4 | 126.7° | 126.4° |
N6 | C12 | C4 | 109.7° | 107.1° |
N6 | C12 | C13 | 130.4° | 133.3° |
N3 | C4 | C12 | 105.6° | 106.1° |
N3 | C4 | C3 | 132.3° | 133.8° |
C4 | N3 | H4 | 126.7° | 126.3° |
C4 | C12 | C13 | 119.6° | 119.6° |
C12 | C4 | C3 | 121.9° | 120.1° |
C12 | C13 | C1 | 118.9° | 119.7° |
C12 | C13 | H11 | 120.6° | 120.2° |
C4 | C3 | C2 | 118.2° | 120.0° |
C4 | C3 | H12 | 120.9° | 120.0° |
C13 | C1 | C2 | 120.4° | 120.3° |
C13 | C1 | N2 | 117.3° | 119.8° |
C1 | C13 | H11 | 120.5° | 120.1° |
C3 | C2 | C1 | 120.8° | 120.3° |
C3 | C2 | H3 | 119.6° | 119.9° |
C2 | C3 | H12 | 120.9° | 120.0° |
C2 | C1 | N2 | 122.3° | 119.8° |
C1 | C2 | H3 | 119.6° | 119.8° |
C1 | N2 | C | 133.2° | 120.0° |
C1 | N2 | H10 | 113.4° | 120.0° |
N2 | C | N | 118.9° | 120.0° |
N2 | C | N1 | 119.7° | 120.0° |
C | N2 | H10 | 113.4° | 120.0° |
N | C | N1 | 121.5° | 120.0° |
C | N | H9 | 112.0° | 120.1° |
C | N1 | H1 | 120.0° | 120.0° |
C | N1 | H2 | 120.0° | 120.0° |
H1 | N1 | H2 | 120.0° | 120.0° |
H6 | C6 | H7 | 109.4° | 109.4° |
H6 | C6 | C7 | 104.0° | 109.4° |
H7 | C6 | C7 | 104.0° | 109.4° |
C6 | C7 | N5 | 90.0° | 109.5° |
C6 | C7 | H8 | 90.0° | 109.5° |
C6 | C7 | H13 | 90.0° | 109.5° |
C7 | N5 | C9 | 90.0° | 111.0° |
C7 | N5 | C15 | 90.0° | 111.0° |
N5 | C7 | H8 | 90.0° | 109.5° |
N5 | C7 | H13 | 90.0° | 109.5° |
N5 | C9 | C10 | 90.0° | 109.3° |
C9 | N5 | C15 | 90.0° | 110.7° |
N5 | C9 | H14 | 90.0° | 109.5° |
N5 | C9 | H15 | 90.0° | 109.5° |
C9 | C10 | O1 | 90.0° | 109.2° |
C10 | C9 | H14 | 90.0° | 109.6° |
C10 | C9 | H15 | 90.0° | 109.5° |
C9 | C10 | H16 | 90.0° | 109.5° |
C9 | C10 | H17 | 90.0° | 109.5° |
C10 | O1 | C14 | 90.0° | 113.7° |
O1 | C10 | H16 | 90.0° | 109.5° |
O1 | C10 | H17 | 90.0° | 109.5° |
O1 | C14 | C15 | 90.0° | 109.2° |
O1 | C14 | H18 | 90.0° | 109.5° |
O1 | C14 | H19 | 90.0° | 109.5° |
C14 | C15 | N5 | 90.0° | 109.3° |
C15 | C14 | H18 | 90.0° | 109.5° |
C15 | C14 | H19 | 90.0° | 109.5° |
C14 | C15 | H20 | 90.0° | 109.5° |
C14 | C15 | H21 | 90.0° | 109.5° |
N5 | C15 | H20 | 90.0° | 109.5° |
N5 | C15 | H21 | 90.0° | 109.5° |
H8 | C7 | H13 | 90.0° | 109.4° |
H14 | C9 | H15 | 90.0° | 109.5° |
H16 | C10 | H17 | 90.0° | 109.6° |
H18 | C14 | H19 | 90.0° | 109.6° |
H20 | C15 | H21 | 90.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C6 | N4 | C5 | H5 | 121.9° | 180.0° |
C6 | N4 | C5 | N6 | 15.6° | 180.0° |
C6 | N4 | C5 | N3 | 162.3° | 0.5° |
N4 | C6 | H6 | H7 | 110.5° | 120.1° |
N4 | C6 | H6 | C7 | 138.9° | 120.0° |
N4 | C6 | H7 | C7 | 138.9° | 120.0° |
N4 | C6 | C7 | N5 | 90.0° | 180.0° |
N4 | C6 | C7 | H8 | 90.0° | 60.0° |
N4 | C6 | C7 | H13 | 90.0° | 60.0° |
N4 | C5 | N6 | N3 | 178.1° | 179.6° |
N4 | C5 | N6 | C12 | 177.1° | 180.0° |
N4 | C5 | N3 | C4 | 177.0° | 179.8° |
N4 | C5 | N3 | H4 | 3.0° | 0.1° |
C5 | N4 | C6 | H6 | 86.7° | 60.0° |
C5 | N4 | C6 | H7 | 158.8° | 60.0° |
C5 | N4 | C6 | C7 | 36.0° | 180.0° |
N6 | C5 | N3 | C4 | 1.2° | 0.6° |
C5 | N6 | C12 | C4 | 0.5° | 0.0° |
C5 | N6 | C12 | C13 | 173.7° | 179.7° |
N6 | C5 | N3 | H4 | 178.8° | 179.5° |
N6 | C5 | N4 | H5 | 106.2° | 0.0° |
N3 | C5 | N6 | C12 | 1.0° | 0.4° |
C5 | N3 | C4 | H4 | 180.0° | 179.9° |
C5 | N3 | C4 | C12 | 0.8° | 0.6° |
C5 | N3 | C4 | C3 | 174.2° | 179.8° |
N3 | C5 | N4 | H5 | 75.8° | 179.5° |
N6 | C12 | C4 | N3 | 0.2° | 0.3° |
N6 | C12 | C4 | C13 | 174.9° | 179.7° |
N6 | C12 | C4 | C3 | 175.4° | 180.0° |
N6 | C12 | C13 | C1 | 170.1° | 179.7° |
N6 | C12 | C13 | H11 | 9.9° | 0.4° |
N3 | C4 | C12 | C3 | 175.6° | 179.7° |
N3 | C4 | C12 | C13 | 175.1° | 179.9° |
N3 | C4 | C3 | C2 | 171.2° | 179.9° |
N3 | C4 | C3 | H12 | 8.7° | 0.4° |
C4 | C12 | C13 | C1 | 3.5° | 0.0° |
C12 | C4 | C3 | C2 | 3.0° | 0.5° |
C12 | C4 | N3 | H4 | 179.2° | 179.5° |
C4 | C12 | C13 | H11 | 176.5° | 180.0° |
C12 | C4 | C3 | H12 | 177.0° | 180.0° |
C13 | C12 | C4 | C3 | 0.5° | 0.2° |
C12 | C13 | C1 | H11 | 180.0° | 180.0° |
C12 | C13 | C1 | C2 | 5.1° | 0.0° |
C12 | C13 | C1 | N2 | 173.3° | 180.0° |
C4 | C3 | C2 | H12 | 180.0° | 179.5° |
C4 | C3 | C2 | C1 | 1.4° | 0.5° |
C4 | C3 | C2 | H3 | 178.6° | 179.8° |
C3 | C4 | N3 | H4 | 5.8° | 0.1° |
C13 | C1 | C2 | C3 | 2.7° | 0.3° |
C13 | C1 | C2 | N2 | 178.3° | 180.0° |
C13 | C1 | N2 | C | 173.3° | 33.3° |
C13 | C1 | C2 | H3 | 177.4° | 180.0° |
C13 | C1 | N2 | H10 | 6.7° | 146.6° |
C3 | C2 | C1 | H3 | 180.0° | 179.7° |
C3 | C2 | C1 | N2 | 175.7° | 179.7° |
C2 | C1 | N2 | C | 5.0° | 146.6° |
C2 | C1 | N2 | H10 | 175.0° | 33.4° |
C2 | C1 | C13 | H11 | 174.9° | 180.0° |
C1 | C2 | C3 | H12 | 178.6° | 180.0° |
C1 | N2 | C | H10 | 180.0° | 180.0° |
C1 | N2 | C | N | 8.2° | 5.6° |
C1 | N2 | C | N1 | 171.9° | 174.4° |
N2 | C1 | C2 | H3 | 4.3° | 0.0° |
N2 | C1 | C13 | H11 | 6.7° | 0.0° |
N2 | C | N | N1 | 179.9° | 180.0° |
N2 | C | N1 | H1 | 179.9° | 180.0° |
N2 | C | N1 | H2 | 0.1° | 0.3° |
N2 | C | N | H9 | 179.9° | 180.0° |
N | C | N1 | H1 | 0.0° | 0.0° |
N | C | N1 | H2 | 180.0° | 179.7° |
N | C | N2 | H10 | 171.8° | 174.4° |
C | N1 | H1 | H2 | 180.0° | 179.7° |
N1 | C | N | H9 | 0.0° | 0.0° |
N1 | C | N2 | H10 | 8.1° | 5.6° |
H3 | C2 | C3 | H12 | 1.4° | 0.3° |
H5 | N4 | C6 | H6 | 151.4° | 120.0° |
H5 | N4 | C6 | H7 | 36.9° | 120.0° |
H5 | N4 | C6 | C7 | 85.8° | 0.0° |
H6 | C6 | H7 | C7 | 110.6° | 119.9° |
H6 | C6 | C7 | N5 | 90.0° | 60.0° |
H6 | C6 | C7 | H8 | 90.0° | 180.0° |
H6 | C6 | C7 | H13 | 90.0° | 60.1° |
H7 | C6 | C7 | N5 | 90.0° | 59.9° |
H7 | C6 | C7 | H8 | 90.0° | 60.1° |
H7 | C6 | C7 | H13 | 90.0° | 180.0° |
C6 | C7 | N5 | H8 | 90.0° | 120.0° |
C6 | C7 | N5 | H13 | 90.0° | 120.0° |
C6 | C7 | N5 | C9 | 90.0° | 170.0° |
C6 | C7 | N5 | C15 | 90.0° | 46.4° |
C6 | C7 | H8 | H13 | 90.0° | 120.0° |
C7 | N5 | C9 | C15 | 90.0° | 123.8° |
C7 | N5 | C9 | C10 | 90.0° | 177.6° |
C7 | N5 | C15 | C14 | 90.0° | 177.6° |
N5 | C7 | H8 | H13 | 90.0° | 120.0° |
C7 | N5 | C9 | H14 | 90.0° | 62.4° |
C7 | N5 | C9 | H15 | 90.0° | 57.7° |
C7 | N5 | C15 | H20 | 90.0° | 57.7° |
C7 | N5 | C15 | H21 | 90.0° | 62.4° |
N5 | C9 | C10 | H14 | 90.0° | 120.0° |
N5 | C9 | C10 | H15 | 90.0° | 119.9° |
N5 | C9 | C10 | O1 | 90.0° | 56.9° |
C9 | N5 | C15 | C14 | 90.0° | 58.6° |
C9 | N5 | C7 | H8 | 90.0° | 50.0° |
C9 | N5 | C7 | H13 | 90.0° | 70.0° |
N5 | C9 | H14 | H15 | 90.0° | 120.1° |
N5 | C9 | C10 | H16 | 90.0° | 176.8° |
N5 | C9 | C10 | H17 | 90.0° | 63.0° |
C9 | N5 | C15 | H20 | 90.0° | 178.5° |
C9 | N5 | C15 | H21 | 90.0° | 61.3° |
C9 | C10 | O1 | H16 | 90.0° | 119.9° |
C9 | C10 | O1 | H17 | 90.0° | 119.9° |
C9 | C10 | O1 | C14 | 90.0° | 58.7° |
C10 | C9 | N5 | C15 | 90.0° | 58.7° |
C10 | C9 | H14 | H15 | 90.0° | 120.1° |
C9 | C10 | H16 | H17 | 90.0° | 120.1° |
C10 | O1 | C14 | C15 | 90.0° | 58.7° |
O1 | C10 | C9 | H14 | 90.0° | 63.1° |
O1 | C10 | C9 | H15 | 90.0° | 176.8° |
O1 | C10 | H16 | H17 | 90.0° | 120.1° |
C10 | O1 | C14 | H18 | 90.0° | 178.6° |
C10 | O1 | C14 | H19 | 90.0° | 61.2° |
O1 | C14 | C15 | H18 | 90.0° | 119.9° |
O1 | C14 | C15 | H19 | 90.0° | 119.9° |
O1 | C14 | C15 | N5 | 90.0° | 56.9° |
C14 | O1 | C10 | H16 | 90.0° | 178.6° |
C14 | O1 | C10 | H17 | 90.0° | 61.2° |
O1 | C14 | H18 | H19 | 90.0° | 120.1° |
O1 | C14 | C15 | H20 | 90.0° | 176.8° |
O1 | C14 | C15 | H21 | 90.0° | 63.1° |
C14 | C15 | N5 | H20 | 90.0° | 119.9° |
C14 | C15 | N5 | H21 | 90.0° | 120.0° |
C15 | C14 | H18 | H19 | 90.0° | 120.1° |
C14 | C15 | H20 | H21 | 90.0° | 120.1° |
C15 | N5 | C7 | H8 | 90.0° | 73.6° |
C15 | N5 | C7 | H13 | 90.0° | 166.4° |
C15 | N5 | C9 | H14 | 90.0° | 61.4° |
C15 | N5 | C9 | H15 | 90.0° | 178.5° |
N5 | C15 | C14 | H18 | 90.0° | 176.8° |
N5 | C15 | C14 | H19 | 90.0° | 63.1° |
N5 | C15 | H20 | H21 | 90.0° | 120.1° |
H14 | C9 | C10 | H16 | 90.0° | 56.8° |
H14 | C9 | C10 | H17 | 90.0° | 177.0° |
H15 | C9 | C10 | H16 | 90.0° | 63.3° |
H15 | C9 | C10 | H17 | 90.0° | 56.8° |
H18 | C14 | C15 | H20 | 90.0° | 63.3° |
H18 | C14 | C15 | H21 | 90.0° | 56.8° |
H19 | C14 | C15 | H20 | 90.0° | 56.9° |
H19 | C14 | C15 | H21 | 90.0° | 177.0° |