M7C
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
C15 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
C10 | C9 | sing | 1.48Å | 1.41Å | |
C9 | O8 | doub | 1.22Å | 1.22Å | |
C9 | N2 | sing | 1.34Å | 1.35Å | |
N2 | C8 | doub | 1.32Å | 1.33Å | |
C8 | S1 | sing | 1.72Å | 1.70Å | |
C8 | N1 | sing | 1.36Å | 1.33Å | |
S1 | C1 | sing | 1.82Å | 1.82Å | |
N1 | C7 | sing | 1.33Å | 1.34Å | |
C7 | O7 | doub | 1.21Å | 1.23Å | |
C7 | C1 | sing | 1.51Å | 1.42Å | |
C1 | O5 | sing | 1.42Å | 1.46Å | |
C1 | C2 | sing | 1.52Å | 1.54Å | |
O5 | C5 | sing | 1.43Å | 1.46Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C5 | C4 | sing | 1.53Å | 1.54Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | C2 | sing | 1.53Å | 1.55Å | |
C2 | O2 | sing | 1.43Å | 1.45Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61C | sing | 1.09Å | 1.10Å | |
C6 | H62C | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O6 | H6 | sing | 0.97Å | 0.95Å | |
O4 | HA | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HB | sing | 0.97Å | 0.95Å | |
O2 | HC | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C14 | C15 | C10 | 121.7° | 119.8° |
C15 | C14 | C13 | 119.3° | 120.2° |
C14 | C15 | H15 | 119.2° | 120.1° |
C15 | C14 | H14 | 120.3° | 119.9° |
C15 | C10 | C11 | 118.2° | 119.8° |
C15 | C10 | C9 | 121.0° | 120.1° |
C10 | C15 | H15 | 119.1° | 120.1° |
C14 | C13 | C12 | 119.5° | 120.3° |
C13 | C14 | H14 | 120.3° | 119.9° |
C14 | C13 | H13 | 120.3° | 119.8° |
C13 | C12 | C11 | 120.7° | 120.1° |
C12 | C13 | H13 | 120.2° | 119.9° |
C13 | C12 | H12 | 119.7° | 119.9° |
C12 | C11 | C10 | 120.6° | 119.9° |
C11 | C12 | H12 | 119.7° | 120.0° |
C12 | C11 | H11 | 119.7° | 120.0° |
C11 | C10 | C9 | 120.7° | 120.1° |
C10 | C11 | H11 | 119.7° | 120.1° |
C10 | C9 | O8 | 119.6° | 120.0° |
C10 | C9 | N2 | 117.1° | 120.0° |
O8 | C9 | N2 | 123.2° | 120.0° |
C9 | N2 | C8 | 119.8° | 120.0° |
N2 | C8 | S1 | 127.2° | 125.7° |
N2 | C8 | N1 | 121.0° | 125.8° |
S1 | C8 | N1 | 111.8° | 108.5° |
C8 | S1 | C1 | 92.7° | 94.7° |
C8 | N1 | C7 | 114.8° | 120.4° |
C8 | N1 | H1 | 122.6° | 119.8° |
S1 | C1 | C7 | 103.4° | 103.6° |
S1 | C1 | O5 | 106.2° | 110.1° |
S1 | C1 | C2 | 112.1° | 110.0° |
N1 | C7 | O7 | 118.5° | 123.6° |
N1 | C7 | C1 | 117.1° | 112.8° |
C7 | N1 | H1 | 122.6° | 119.8° |
O7 | C7 | C1 | 124.3° | 123.6° |
C7 | C1 | O5 | 110.5° | 110.8° |
C7 | C1 | C2 | 112.9° | 111.0° |
O5 | C1 | C2 | 111.3° | 111.0° |
C1 | O5 | C5 | 115.9° | 114.3° |
C1 | C2 | C3 | 112.1° | 109.3° |
C1 | C2 | O2 | 109.9° | 109.5° |
C1 | C2 | H2 | 107.6° | 109.5° |
O5 | C5 | C6 | 111.1° | 109.5° |
O5 | C5 | C4 | 109.6° | 109.4° |
O5 | C5 | H5 | 108.7° | 109.5° |
C6 | C5 | C4 | 112.0° | 109.5° |
C5 | C6 | O6 | 107.8° | 109.5° |
C6 | C5 | H5 | 107.8° | 109.5° |
C5 | C6 | H61C | 109.9° | 109.5° |
C5 | C6 | H62C | 109.9° | 109.5° |
C5 | C4 | O4 | 110.5° | 109.5° |
C5 | C4 | C3 | 110.4° | 109.2° |
C4 | C5 | H5 | 107.6° | 109.5° |
C5 | C4 | H4 | 108.9° | 109.6° |
O6 | C6 | H61C | 109.9° | 109.4° |
O6 | C6 | H62C | 109.9° | 109.5° |
C6 | O6 | H6 | 109.5° | 114.0° |
O4 | C4 | C3 | 107.6° | 109.5° |
O4 | C4 | H4 | 110.4° | 109.5° |
C4 | O4 | HA | 109.5° | 113.9° |
C4 | C3 | O3 | 108.0° | 109.5° |
C4 | C3 | C2 | 111.4° | 108.9° |
C3 | C4 | H4 | 109.1° | 109.5° |
C4 | C3 | H3 | 109.1° | 109.5° |
O3 | C3 | C2 | 108.9° | 109.6° |
O3 | C3 | H3 | 110.5° | 109.6° |
C3 | O3 | HB | 109.5° | 114.0° |
C3 | C2 | O2 | 110.7° | 109.5° |
C3 | C2 | H2 | 107.6° | 109.5° |
C2 | C3 | H3 | 108.8° | 109.7° |
O2 | C2 | H2 | 108.7° | 109.5° |
C2 | O2 | HC | 109.5° | 113.9° |
H61C | C6 | H62C | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C14 | C15 | C10 | H15 | 180.0° | 179.7° |
C15 | C14 | C13 | H14 | 180.0° | 179.9° |
C15 | C14 | C13 | C12 | 0.1° | 0.1° |
C14 | C15 | C10 | C11 | 1.9° | 0.1° |
C14 | C15 | C10 | C9 | 178.2° | 180.0° |
C15 | C14 | C13 | H13 | 179.9° | 179.9° |
C10 | C15 | C14 | C13 | 0.7° | 0.1° |
C15 | C10 | C11 | C12 | 2.3° | 0.0° |
C15 | C10 | C11 | C9 | 176.3° | 180.0° |
C15 | C10 | C9 | O8 | 152.7° | 0.0° |
C15 | C10 | C9 | N2 | 23.8° | 180.0° |
C10 | C15 | C14 | H14 | 179.2° | 180.0° |
C15 | C10 | C11 | H11 | 177.7° | 180.0° |
C14 | C13 | C12 | H13 | 180.0° | 180.0° |
C14 | C13 | C12 | C11 | 0.3° | 0.0° |
C13 | C14 | C15 | H15 | 179.3° | 179.8° |
C14 | C13 | C12 | H12 | 179.7° | 180.0° |
C13 | C12 | C11 | H12 | 180.0° | 180.0° |
C13 | C12 | C11 | C10 | 1.6° | 0.0° |
C12 | C13 | C14 | H14 | 179.9° | 179.9° |
C13 | C12 | C11 | H11 | 178.4° | 180.0° |
C12 | C11 | C10 | H11 | 180.0° | 180.0° |
C12 | C11 | C10 | C9 | 178.6° | 180.0° |
C11 | C12 | C13 | H13 | 179.7° | 180.0° |
C11 | C10 | C9 | O8 | 23.4° | 180.0° |
C11 | C10 | C9 | N2 | 160.0° | 0.1° |
C11 | C10 | C15 | H15 | 178.1° | 179.8° |
C10 | C11 | C12 | H12 | 178.4° | 180.0° |
C10 | C9 | O8 | N2 | 176.3° | 179.9° |
C10 | C9 | N2 | C8 | 176.0° | 180.0° |
C9 | C10 | C15 | H15 | 1.8° | 0.3° |
C9 | C10 | C11 | H11 | 1.4° | 0.0° |
O8 | C9 | N2 | C8 | 0.5° | 0.1° |
C9 | N2 | C8 | S1 | 0.4° | 0.0° |
C9 | N2 | C8 | N1 | 179.0° | 179.7° |
N2 | C8 | S1 | N1 | 178.8° | 179.7° |
N2 | C8 | S1 | C1 | 178.0° | 180.0° |
N2 | C8 | N1 | C7 | 179.4° | 180.0° |
N2 | C8 | N1 | H1 | 0.7° | 0.0° |
S1 | C8 | N1 | C7 | 1.8° | 0.3° |
C8 | S1 | C1 | C7 | 2.8° | 0.3° |
C8 | S1 | C1 | O5 | 113.6° | 118.8° |
C8 | S1 | C1 | C2 | 124.7° | 118.5° |
S1 | C8 | N1 | H1 | 178.2° | 179.7° |
N1 | C8 | S1 | C1 | 0.8° | 0.3° |
C8 | N1 | C7 | H1 | 180.0° | 180.0° |
C8 | N1 | C7 | O7 | 179.8° | 180.0° |
C8 | N1 | C7 | C1 | 4.4° | 0.0° |
S1 | C1 | C7 | N1 | 4.5° | 0.2° |
S1 | C1 | C7 | O7 | 180.0° | 179.8° |
S1 | C1 | C7 | O5 | 113.3° | 118.1° |
S1 | C1 | C7 | C2 | 121.3° | 118.1° |
S1 | C1 | O5 | C2 | 122.2° | 122.1° |
S1 | C1 | O5 | C5 | 176.5° | 178.7° |
S1 | C1 | C2 | C3 | 166.9° | 178.0° |
S1 | C1 | C2 | O2 | 69.5° | 62.1° |
S1 | C1 | C2 | H2 | 48.8° | 58.0° |
N1 | C7 | O7 | C1 | 175.4° | 180.0° |
N1 | C7 | C1 | O5 | 108.8° | 118.3° |
N1 | C7 | C1 | C2 | 125.8° | 117.9° |
O7 | C7 | C1 | O5 | 66.7° | 61.7° |
O7 | C7 | C1 | C2 | 58.7° | 62.2° |
O7 | C7 | N1 | H1 | 0.2° | 0.0° |
C7 | C1 | O5 | C2 | 126.2° | 123.8° |
C7 | C1 | O5 | C5 | 72.0° | 64.6° |
C7 | C1 | C2 | C3 | 76.8° | 67.9° |
C7 | C1 | C2 | O2 | 46.8° | 52.0° |
C1 | C7 | N1 | H1 | 175.6° | 179.9° |
C7 | C1 | C2 | H2 | 165.1° | 172.1° |
C1 | O5 | C5 | C6 | 177.1° | 179.9° |
C1 | O5 | C5 | C4 | 58.7° | 60.0° |
O5 | C1 | C2 | C3 | 48.1° | 55.9° |
O5 | C1 | C2 | O2 | 171.7° | 175.7° |
O5 | C1 | C2 | H2 | 70.0° | 64.1° |
C1 | O5 | C5 | H5 | 58.7° | 60.1° |
C2 | C1 | O5 | C5 | 54.3° | 59.2° |
C1 | C2 | C3 | C4 | 49.8° | 56.0° |
C1 | C2 | C3 | O3 | 169.0° | 175.8° |
C1 | C2 | C3 | O2 | 123.2° | 119.9° |
C1 | C2 | C3 | H2 | 118.1° | 120.0° |
C1 | C2 | O2 | H2 | 117.6° | 120.1° |
C1 | C2 | C3 | H3 | 70.5° | 63.9° |
C1 | C2 | O2 | HC | 180.0° | 180.0° |
O5 | C5 | C6 | C4 | 122.8° | 119.9° |
O5 | C5 | C6 | H5 | 119.0° | 120.1° |
O5 | C5 | C4 | H5 | 118.0° | 120.0° |
O5 | C5 | C6 | O6 | 67.2° | 65.0° |
O5 | C5 | C4 | O4 | 176.0° | 178.1° |
O5 | C5 | C4 | C3 | 57.1° | 58.2° |
O5 | C5 | C6 | H61C | 52.5° | 175.0° |
O5 | C5 | C6 | H62C | 173.0° | 55.0° |
O5 | C5 | C4 | H4 | 62.6° | 61.8° |
C6 | C5 | C4 | H5 | 118.3° | 120.0° |
C5 | C6 | O6 | H61C | 119.8° | 120.0° |
C5 | C6 | O6 | H62C | 119.8° | 120.0° |
C6 | C5 | C4 | O4 | 60.3° | 62.0° |
C6 | C5 | C4 | C3 | 179.2° | 178.1° |
C5 | C6 | H61C | H62C | 120.8° | 120.0° |
C6 | C5 | C4 | H4 | 61.1° | 58.1° |
C5 | C6 | O6 | H6 | 180.0° | 180.0° |
C4 | C5 | C6 | O6 | 55.6° | 175.1° |
C5 | C4 | O4 | C3 | 120.6° | 119.7° |
C5 | C4 | O4 | H4 | 120.5° | 120.2° |
C5 | C4 | C3 | H4 | 119.6° | 120.0° |
C5 | C4 | C3 | O3 | 173.8° | 177.4° |
C5 | C4 | C3 | C2 | 54.1° | 57.6° |
C4 | C5 | C6 | H61C | 175.3° | 55.1° |
C4 | C5 | C6 | H62C | 64.2° | 64.9° |
C5 | C4 | O4 | HA | 180.0° | 60.0° |
C5 | C4 | C3 | H3 | 66.0° | 62.4° |
O6 | C6 | C5 | H5 | 173.8° | 55.0° |
O6 | C6 | H61C | H62C | 120.8° | 120.0° |
O4 | C4 | C3 | H4 | 119.8° | 120.1° |
O4 | C4 | C3 | O3 | 65.6° | 62.6° |
O4 | C4 | C3 | C2 | 174.8° | 177.5° |
O4 | C4 | C5 | H5 | 58.0° | 58.1° |
O4 | C4 | C3 | H3 | 54.7° | 57.6° |
C4 | C3 | O3 | C2 | 121.2° | 119.5° |
C4 | C3 | O3 | H3 | 119.3° | 120.2° |
C4 | C3 | C2 | H3 | 120.3° | 119.8° |
C4 | C3 | C2 | O2 | 173.0° | 175.9° |
C4 | C3 | C2 | H2 | 68.3° | 64.0° |
C3 | C4 | C5 | H5 | 60.9° | 61.8° |
C3 | C4 | O4 | HA | 59.4° | 179.7° |
C4 | C3 | O3 | HB | 180.0° | 60.0° |
O3 | C3 | C2 | H3 | 120.6° | 120.3° |
O3 | C3 | C2 | O2 | 67.9° | 64.3° |
O3 | C3 | C2 | H2 | 50.8° | 55.8° |
O3 | C3 | C4 | H4 | 54.2° | 57.4° |
C3 | C2 | O2 | H2 | 118.0° | 120.1° |
C2 | C3 | C4 | H4 | 65.4° | 62.4° |
C2 | C3 | O3 | HB | 58.8° | 179.4° |
C3 | C2 | O2 | HC | 55.6° | 60.2° |
O2 | C2 | C3 | H3 | 52.7° | 56.0° |
H15 | C15 | C14 | H14 | 0.8° | 0.3° |
H14 | C14 | C13 | H13 | 0.1° | 0.0° |
H13 | C13 | C12 | H12 | 0.3° | 0.0° |
H12 | C12 | C11 | H11 | 1.6° | 0.0° |
H2 | C2 | C3 | H3 | 171.4° | 176.1° |
H2 | C2 | O2 | HC | 62.4° | 59.9° |
H5 | C5 | C6 | H61C | 66.5° | 65.0° |
H5 | C5 | C6 | H62C | 54.0° | 175.0° |
H5 | C5 | C4 | H4 | 179.4° | 178.2° |
H61C | C6 | O6 | H6 | 60.2° | 60.0° |
H62C | C6 | O6 | H6 | 60.2° | 60.0° |
H4 | C4 | O4 | HA | 59.5° | 60.2° |
H4 | C4 | C3 | H3 | 174.4° | 177.7° |
H3 | C3 | O3 | HB | 60.7° | 60.2° |