B5N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | N09 | sing | 1.47Å | 1.30Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C11 | N09 | sing | 1.47Å | 1.31Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| N09 | C08 | sing | 1.47Å | 1.35Å | |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | N12 | sing | 1.47Å | 1.50Å | |
| F07 | C04 | sing | 1.35Å | 1.38Å | |
| C06 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | N12 | sing | 1.47Å | 1.47Å | |
| C05 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| N12 | C15 | sing | 1.35Å | 1.49Å | |
| C02 | C01 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C01 | sing | 1.38Å | 1.41Å | Aromatic |
| C03 | C08 | sing | 1.51Å | 1.54Å | |
| C15 | C16 | sing | 1.48Å | 1.57Å | |
| C15 | O22 | doub | 1.22Å | 1.20Å | |
| C16 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C23 | sing | 1.51Å | 1.53Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N09 | C14 | C13 | 112.8° | 109.4° |
| C14 | N09 | C11 | 115.6° | 111.3° |
| C14 | N09 | C08 | 113.2° | 111.0° |
| N09 | C14 | H13 | 108.6° | 109.5° |
| N09 | C14 | H14 | 108.6° | 109.5° |
| C14 | C13 | N12 | 110.0° | 108.5° |
| C14 | C13 | H11 | 109.3° | 109.6° |
| C14 | C13 | H12 | 109.3° | 109.7° |
| C13 | C14 | H13 | 108.7° | 109.5° |
| C13 | C14 | H14 | 108.6° | 109.5° |
| N09 | C11 | C10 | 113.0° | 109.4° |
| C11 | N09 | C08 | 113.1° | 111.0° |
| N09 | C11 | H9 | 108.6° | 109.5° |
| N09 | C11 | H10 | 108.6° | 109.6° |
| C11 | C10 | N12 | 110.8° | 108.5° |
| C11 | C10 | H7 | 109.2° | 109.6° |
| C11 | C10 | H8 | 109.1° | 109.8° |
| C10 | C11 | H9 | 108.6° | 109.5° |
| C10 | C11 | H10 | 108.6° | 109.5° |
| N09 | C08 | C03 | 109.3° | 109.5° |
| N09 | C08 | H5 | 109.5° | 109.5° |
| N09 | C08 | H6 | 109.5° | 109.5° |
| C20 | C21 | C16 | 120.1° | 119.8° |
| C21 | C20 | C19 | 119.9° | 120.1° |
| C21 | C20 | H17 | 120.1° | 119.9° |
| C20 | C21 | H18 | 119.9° | 120.1° |
| C21 | C16 | C15 | 120.0° | 120.2° |
| C21 | C16 | C18 | 120.1° | 119.7° |
| C16 | C21 | H18 | 120.0° | 120.1° |
| C20 | C19 | C17 | 119.9° | 120.3° |
| C20 | C19 | H16 | 120.1° | 119.8° |
| C19 | C20 | H17 | 120.0° | 120.0° |
| C13 | N12 | C10 | 121.2° | 118.3° |
| C13 | N12 | C15 | 119.4° | 120.8° |
| N12 | C13 | H11 | 109.3° | 109.7° |
| N12 | C13 | H12 | 109.3° | 109.6° |
| F07 | C04 | C06 | 120.0° | 120.0° |
| F07 | C04 | C02 | 120.0° | 120.0° |
| C04 | C06 | C05 | 120.0° | 120.0° |
| C06 | C04 | C02 | 120.0° | 120.0° |
| C04 | C06 | H4 | 120.0° | 120.1° |
| C06 | C05 | C03 | 120.1° | 120.0° |
| C06 | C05 | H3 | 120.0° | 120.0° |
| C05 | C06 | H4 | 120.0° | 120.0° |
| C04 | C02 | C01 | 119.9° | 120.0° |
| C04 | C02 | H2 | 120.1° | 120.0° |
| C10 | N12 | C15 | 119.4° | 120.9° |
| N12 | C10 | H7 | 109.1° | 109.7° |
| N12 | C10 | H8 | 109.1° | 109.6° |
| C05 | C03 | C01 | 120.0° | 120.1° |
| C05 | C03 | C08 | 119.9° | 120.0° |
| C03 | C05 | H3 | 120.0° | 120.0° |
| N12 | C15 | C16 | 120.0° | 120.0° |
| N12 | C15 | O22 | 120.0° | 119.9° |
| C02 | C01 | C03 | 120.0° | 120.0° |
| C02 | C01 | H1 | 120.0° | 120.0° |
| C01 | C02 | H2 | 120.0° | 120.0° |
| C01 | C03 | C08 | 120.1° | 119.9° |
| C03 | C01 | H1 | 120.0° | 120.1° |
| C03 | C08 | H5 | 109.5° | 109.5° |
| C03 | C08 | H6 | 109.5° | 109.5° |
| C16 | C15 | O22 | 120.0° | 120.0° |
| C15 | C16 | C18 | 119.9° | 120.1° |
| C16 | C18 | C17 | 120.1° | 119.8° |
| C16 | C18 | C23 | 119.8° | 120.1° |
| C19 | C17 | C18 | 119.9° | 120.2° |
| C19 | C17 | H15 | 120.0° | 119.9° |
| C17 | C19 | H16 | 120.0° | 119.9° |
| C17 | C18 | C23 | 120.2° | 120.1° |
| C18 | C17 | H15 | 120.1° | 119.9° |
| C18 | C23 | H19 | 109.5° | 109.5° |
| C18 | C23 | H20 | 109.5° | 109.5° |
| C18 | C23 | H21 | 109.4° | 109.5° |
| H5 | C08 | H6 | 109.4° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.7° |
| H9 | C11 | H10 | 109.5° | 109.4° |
| H11 | C13 | H12 | 109.5° | 109.7° |
| H13 | C14 | H14 | 109.4° | 109.5° |
| H19 | C23 | H20 | 109.5° | 109.4° |
| H19 | C23 | H21 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N09 | C14 | C13 | H13 | 120.5° | 120.0° |
| N09 | C14 | C13 | H14 | 120.5° | 120.0° |
| C14 | N09 | C11 | C08 | 132.9° | 124.2° |
| C14 | N09 | C11 | C10 | 65.6° | 63.1° |
| N09 | C14 | C13 | N12 | 39.3° | 53.8° |
| C14 | N09 | C08 | C03 | 81.3° | 65.7° |
| C14 | N09 | C08 | H5 | 38.7° | 174.3° |
| C14 | N09 | C08 | H6 | 158.7° | 54.3° |
| C14 | N09 | C11 | H9 | 54.9° | 56.9° |
| C14 | N09 | C11 | H10 | 173.9° | 176.9° |
| N09 | C14 | C13 | H11 | 80.8° | 173.5° |
| N09 | C14 | C13 | H12 | 159.4° | 66.0° |
| N09 | C14 | H13 | H14 | 118.5° | 120.0° |
| C13 | C14 | N09 | C11 | 65.2° | 63.1° |
| C13 | C14 | N09 | C08 | 67.6° | 172.8° |
| C14 | C13 | N12 | H11 | 120.1° | 119.7° |
| C14 | C13 | N12 | H12 | 120.1° | 119.8° |
| C14 | C13 | N12 | C10 | 21.2° | 51.2° |
| C14 | C13 | N12 | C15 | 158.8° | 128.9° |
| C14 | C13 | H11 | H12 | 119.8° | 120.6° |
| C13 | C14 | H13 | H14 | 118.5° | 120.1° |
| N09 | C11 | C10 | H9 | 120.5° | 120.0° |
| N09 | C11 | C10 | H10 | 120.5° | 120.0° |
| N09 | C11 | C10 | N12 | 39.9° | 53.8° |
| C11 | N09 | C08 | C03 | 144.7° | 170.0° |
| C11 | N09 | C08 | H5 | 95.3° | 50.0° |
| C11 | N09 | C08 | H6 | 24.7° | 70.0° |
| N09 | C11 | C10 | H7 | 160.1° | 65.9° |
| N09 | C11 | C10 | H8 | 80.3° | 173.6° |
| N09 | C11 | H9 | H10 | 118.4° | 120.1° |
| C11 | N09 | C14 | H13 | 174.2° | 176.9° |
| C11 | N09 | C14 | H14 | 55.3° | 56.9° |
| C10 | C11 | N09 | C08 | 67.2° | 172.7° |
| C11 | C10 | N12 | C13 | 21.5° | 51.2° |
| C11 | C10 | N12 | H7 | 120.2° | 119.6° |
| C11 | C10 | N12 | H8 | 120.2° | 119.9° |
| C11 | C10 | N12 | C15 | 158.5° | 128.9° |
| C11 | C10 | H7 | H8 | 119.4° | 120.6° |
| C10 | C11 | H9 | H10 | 118.4° | 120.0° |
| N09 | C08 | C03 | C05 | 91.3° | 90.0° |
| N09 | C08 | C03 | C01 | 88.6° | 90.0° |
| N09 | C08 | C03 | H5 | 120.0° | 120.0° |
| N09 | C08 | C03 | H6 | 120.0° | 120.0° |
| N09 | C08 | H5 | H6 | 120.0° | 120.0° |
| C08 | N09 | C11 | H9 | 172.2° | 67.3° |
| C08 | N09 | C11 | H10 | 53.3° | 52.8° |
| C08 | N09 | C14 | H13 | 52.9° | 52.8° |
| C08 | N09 | C14 | H14 | 171.9° | 67.2° |
| C20 | C21 | C16 | H18 | 180.0° | 180.0° |
| C21 | C20 | C19 | H17 | 180.0° | 179.7° |
| C20 | C21 | C16 | C15 | 180.0° | 180.0° |
| C20 | C21 | C16 | C18 | 0.1° | 0.3° |
| C21 | C20 | C19 | C17 | 0.0° | 0.3° |
| C21 | C20 | C19 | H16 | 180.0° | 180.0° |
| C16 | C21 | C20 | C19 | 0.0° | 0.0° |
| C21 | C16 | C15 | N12 | 51.0° | 54.4° |
| C21 | C16 | C15 | C18 | 180.0° | 179.7° |
| C21 | C16 | C15 | O22 | 129.1° | 125.6° |
| C21 | C16 | C18 | C17 | 0.1° | 0.3° |
| C21 | C16 | C18 | C23 | 180.0° | 179.7° |
| C16 | C21 | C20 | H17 | 179.9° | 179.7° |
| C20 | C19 | C17 | H16 | 180.0° | 179.8° |
| C20 | C19 | C17 | C18 | 0.1° | 0.2° |
| C20 | C19 | C17 | H15 | 179.9° | 179.7° |
| C19 | C20 | C21 | H18 | 180.0° | 180.0° |
| C13 | N12 | C10 | C15 | 180.0° | 179.9° |
| C13 | N12 | C15 | C16 | 0.0° | 5.5° |
| C13 | N12 | C15 | O22 | 180.0° | 174.5° |
| C13 | N12 | C10 | H7 | 141.7° | 68.4° |
| C13 | N12 | C10 | H8 | 98.7° | 171.1° |
| N12 | C13 | H11 | H12 | 119.8° | 120.5° |
| N12 | C13 | C14 | H13 | 159.8° | 173.8° |
| N12 | C13 | C14 | H14 | 81.2° | 66.2° |
| F07 | C04 | C06 | C02 | 179.9° | 180.0° |
| F07 | C04 | C06 | C05 | 180.0° | 179.7° |
| F07 | C04 | C02 | C01 | 180.0° | 180.0° |
| F07 | C04 | C02 | H2 | 0.0° | 0.0° |
| F07 | C04 | C06 | H4 | 0.0° | 0.0° |
| C04 | C06 | C05 | H4 | 180.0° | 179.8° |
| C04 | C06 | C05 | C03 | 0.1° | 0.3° |
| C06 | C04 | C02 | C01 | 0.1° | 0.0° |
| C06 | C04 | C02 | H2 | 179.9° | 180.0° |
| C04 | C06 | C05 | H3 | 179.9° | 179.7° |
| C05 | C06 | C04 | C02 | 0.1° | 0.3° |
| C06 | C05 | C03 | H3 | 180.0° | 179.9° |
| C06 | C05 | C03 | C01 | 0.0° | 0.0° |
| C06 | C05 | C03 | C08 | 180.0° | 180.0° |
| C04 | C02 | C01 | H2 | 180.0° | 180.0° |
| C04 | C02 | C01 | C03 | 0.0° | 0.3° |
| C04 | C02 | C01 | H1 | 180.0° | 180.0° |
| C02 | C04 | C06 | H4 | 179.9° | 179.9° |
| C10 | N12 | C15 | C16 | 180.0° | 174.4° |
| C10 | N12 | C15 | O22 | 0.0° | 5.6° |
| N12 | C10 | H7 | H8 | 119.4° | 120.4° |
| N12 | C10 | C11 | H9 | 80.6° | 66.2° |
| N12 | C10 | C11 | H10 | 160.4° | 173.9° |
| C10 | N12 | C13 | H11 | 98.9° | 170.9° |
| C10 | N12 | C13 | H12 | 141.2° | 68.6° |
| C05 | C03 | C01 | C02 | 0.0° | 0.3° |
| C05 | C03 | C01 | C08 | 180.0° | 180.0° |
| C05 | C03 | C01 | H1 | 180.0° | 180.0° |
| C03 | C05 | C06 | H4 | 179.9° | 180.0° |
| C05 | C03 | C08 | H5 | 148.6° | 30.0° |
| C05 | C03 | C08 | H6 | 28.6° | 150.0° |
| N12 | C15 | C16 | O22 | 180.0° | 180.0° |
| N12 | C15 | C16 | C18 | 129.1° | 125.3° |
| C15 | N12 | C10 | H7 | 38.3° | 111.5° |
| C15 | N12 | C10 | H8 | 81.3° | 9.0° |
| C15 | N12 | C13 | H11 | 81.1° | 9.2° |
| C15 | N12 | C13 | H12 | 38.7° | 111.3° |
| C02 | C01 | C03 | H1 | 180.0° | 179.7° |
| C02 | C01 | C03 | C08 | 180.0° | 179.7° |
| C03 | C01 | C02 | H2 | 180.0° | 179.7° |
| C01 | C03 | C05 | H3 | 180.0° | 179.9° |
| C01 | C03 | C08 | H5 | 31.4° | 150.0° |
| C01 | C03 | C08 | H6 | 151.4° | 30.0° |
| C08 | C03 | C01 | H1 | 0.0° | 0.0° |
| C08 | C03 | C05 | H3 | 0.0° | 0.1° |
| C03 | C08 | H5 | H6 | 120.1° | 120.0° |
| C15 | C16 | C18 | C17 | 179.9° | 180.0° |
| C15 | C16 | C18 | C23 | 0.1° | 0.0° |
| C15 | C16 | C21 | H18 | 0.0° | 0.0° |
| O22 | C15 | C16 | C18 | 50.9° | 54.7° |
| C16 | C18 | C17 | C19 | 0.1° | 0.0° |
| C16 | C18 | C17 | C23 | 179.9° | 179.9° |
| C16 | C18 | C17 | H15 | 179.9° | 180.0° |
| C18 | C16 | C21 | H18 | 179.9° | 179.7° |
| C16 | C18 | C23 | H19 | 89.9° | 94.9° |
| C16 | C18 | C23 | H20 | 150.1° | 145.1° |
| C16 | C18 | C23 | H21 | 30.1° | 25.2° |
| C19 | C17 | C18 | H15 | 180.0° | 180.0° |
| C19 | C17 | C18 | C23 | 180.0° | 180.0° |
| C17 | C19 | C20 | H17 | 179.9° | 180.0° |
| C18 | C17 | C19 | H16 | 179.9° | 180.0° |
| C17 | C18 | C23 | H19 | 90.0° | 85.2° |
| C17 | C18 | C23 | H20 | 30.1° | 34.8° |
| C17 | C18 | C23 | H21 | 150.0° | 154.8° |
| C23 | C18 | C17 | H15 | 0.0° | 0.0° |
| C18 | C23 | H19 | H20 | 120.0° | 120.0° |
| C18 | C23 | H19 | H21 | 120.0° | 120.0° |
| C18 | C23 | H20 | H21 | 120.0° | 120.0° |
| H1 | C01 | C02 | H2 | 0.1° | 0.0° |
| H3 | C05 | C06 | H4 | 0.1° | 0.1° |
| H7 | C10 | C11 | H9 | 39.6° | 174.1° |
| H7 | C10 | C11 | H10 | 79.4° | 54.2° |
| H8 | C10 | C11 | H9 | 159.2° | 53.6° |
| H8 | C10 | C11 | H10 | 40.3° | 66.4° |
| H11 | C13 | C14 | H13 | 39.7° | 66.5° |
| H11 | C13 | C14 | H14 | 158.7° | 53.5° |
| H12 | C13 | C14 | H13 | 80.1° | 54.0° |
| H12 | C13 | C14 | H14 | 38.9° | 174.0° |
| H15 | C17 | C19 | H16 | 0.1° | 0.0° |
| H16 | C19 | C20 | H17 | 0.0° | 0.3° |
| H17 | C20 | C21 | H18 | 0.1° | 0.3° |
| H19 | C23 | H20 | H21 | 120.0° | 120.0° |
