H3N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | N | sing | 1.47Å | 1.45Å | |
N1 | N | sing | 1.40Å | 1.35Å | Aromatic |
N1 | C3 | doub | 1.31Å | 1.33Å | Aromatic |
N | C1 | sing | 1.35Å | 1.34Å | Aromatic |
C3 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
C1 | C2 | doub | 1.37Å | 1.37Å | Aromatic |
C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
C2 | C4 | sing | 1.48Å | 1.49Å | |
C15 | O1 | sing | 1.36Å | 1.39Å | |
C15 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
C4 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
O1 | C14 | sing | 1.36Å | 1.40Å | |
C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
N2 | C22 | doub | 1.33Å | 1.34Å | Aromatic |
C21 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
C21 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
C6 | C7 | doub | 1.39Å | 1.37Å | Aromatic |
C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
C22 | C7 | sing | 1.40Å | 1.35Å | Aromatic |
C22 | C9 | sing | 1.47Å | 1.45Å | Aromatic |
C7 | O | sing | 1.35Å | 1.37Å | Aromatic |
C9 | C10 | sing | 1.48Å | 1.48Å | |
C9 | C8 | doub | 1.35Å | 1.36Å | Aromatic |
C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
O | C8 | sing | 1.34Å | 1.35Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
C11 | H1 | sing | 1.08Å | 1.08Å | |
C12 | H2 | sing | 1.08Å | 1.08Å | |
C17 | H3 | sing | 1.08Å | 1.08Å | |
C | H4 | sing | 1.09Å | 1.10Å | |
C | H5 | sing | 1.09Å | 1.10Å | |
C | H6 | sing | 1.09Å | 1.10Å | |
C3 | H7 | sing | 1.08Å | 1.08Å | |
C1 | H8 | sing | 1.08Å | 1.08Å | |
C6 | H9 | sing | 1.08Å | 1.08Å | |
C5 | H10 | sing | 1.08Å | 1.08Å | |
C8 | H11 | sing | 1.08Å | 1.08Å | |
C21 | H12 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C20 | H14 | sing | 1.08Å | 1.08Å | |
C19 | H15 | sing | 1.08Å | 1.08Å | |
C18 | H16 | sing | 1.08Å | 1.08Å | |
C16 | H17 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C | N | N1 | 120.2° | 125.9° |
C | N | C1 | 127.4° | 125.9° |
N | C | H4 | 109.5° | 109.5° |
N | C | H5 | 109.5° | 109.5° |
N | C | H6 | 109.5° | 109.5° |
N | N1 | C3 | 104.5° | 108.5° |
N1 | N | C1 | 112.3° | 108.3° |
N1 | C3 | C2 | 111.7° | 108.1° |
N1 | C3 | H7 | 124.2° | 125.9° |
N | C1 | C2 | 107.5° | 107.6° |
N | C1 | H8 | 126.3° | 126.3° |
C3 | C2 | C1 | 104.1° | 107.5° |
C3 | C2 | C4 | 131.0° | 126.2° |
C2 | C3 | H7 | 124.1° | 126.0° |
C16 | C17 | C18 | 120.4° | 120.0° |
C17 | C16 | C15 | 119.2° | 120.0° |
C16 | C17 | H3 | 119.8° | 119.9° |
C17 | C16 | H17 | 120.4° | 120.0° |
C17 | C18 | C19 | 119.9° | 120.1° |
C18 | C17 | H3 | 119.8° | 120.0° |
C17 | C18 | H16 | 120.0° | 119.9° |
C16 | C15 | O1 | 117.2° | 120.0° |
C16 | C15 | C20 | 120.8° | 119.9° |
C15 | C16 | H17 | 120.4° | 120.0° |
C1 | C2 | C4 | 124.9° | 126.3° |
C2 | C1 | H8 | 126.3° | 126.1° |
C18 | C19 | C20 | 120.6° | 120.0° |
C18 | C19 | H15 | 119.7° | 120.0° |
C19 | C18 | H16 | 120.1° | 119.9° |
C2 | C4 | C5 | 123.0° | 119.6° |
C2 | C4 | N2 | 114.1° | 119.5° |
O1 | C15 | C20 | 122.0° | 120.1° |
C15 | O1 | C14 | 119.2° | 118.0° |
C15 | C20 | C19 | 119.1° | 119.9° |
C15 | C20 | H14 | 120.4° | 120.0° |
C5 | C4 | N2 | 123.0° | 120.9° |
C4 | C5 | C6 | 118.9° | 119.6° |
C4 | C5 | H10 | 120.5° | 120.1° |
C4 | N2 | C22 | 117.2° | 121.3° |
C19 | C20 | H14 | 120.4° | 120.0° |
C20 | C19 | H15 | 119.7° | 120.0° |
O1 | C14 | C21 | 120.0° | 120.0° |
O1 | C14 | C13 | 118.4° | 120.0° |
C5 | C6 | C7 | 116.4° | 118.5° |
C5 | C6 | H9 | 121.8° | 120.8° |
C6 | C5 | H10 | 120.6° | 120.2° |
N2 | C22 | C7 | 122.4° | 120.8° |
N2 | C22 | C9 | 131.3° | 133.9° |
C14 | C21 | C10 | 119.9° | 119.8° |
C21 | C14 | C13 | 121.5° | 120.0° |
C14 | C21 | H12 | 120.1° | 120.1° |
C21 | C10 | C9 | 120.4° | 120.0° |
C21 | C10 | C11 | 118.7° | 119.8° |
C10 | C21 | H12 | 120.1° | 120.1° |
C6 | C7 | C22 | 122.1° | 119.0° |
C6 | C7 | O | 126.0° | 133.3° |
C7 | C6 | H9 | 121.8° | 120.8° |
C14 | C13 | C12 | 118.3° | 120.1° |
C14 | C13 | H13 | 120.8° | 119.9° |
C7 | C22 | C9 | 105.7° | 105.3° |
C22 | C7 | O | 111.7° | 107.7° |
C22 | C9 | C10 | 125.1° | 127.0° |
C22 | C9 | C8 | 104.6° | 106.0° |
C7 | O | C8 | 105.0° | 111.1° |
C10 | C9 | C8 | 130.3° | 127.0° |
C9 | C10 | C11 | 120.4° | 120.2° |
C9 | C8 | O | 112.9° | 109.9° |
C9 | C8 | H11 | 123.6° | 125.0° |
C10 | C11 | C12 | 120.7° | 120.1° |
C10 | C11 | H1 | 119.6° | 120.0° |
C13 | C12 | C11 | 120.7° | 120.2° |
C13 | C12 | H2 | 119.7° | 119.8° |
C12 | C13 | H13 | 120.8° | 119.9° |
O | C8 | H11 | 123.6° | 125.1° |
C12 | C11 | H1 | 119.7° | 120.0° |
C11 | C12 | H2 | 119.6° | 120.0° |
H4 | C | H5 | 109.4° | 109.5° |
H4 | C | H6 | 109.4° | 109.4° |
H5 | C | H6 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C | N | N1 | C1 | 179.2° | 179.8° |
C | N | N1 | C3 | 178.7° | 180.0° |
C | N | C1 | C2 | 178.9° | 179.8° |
N | C | H4 | H5 | 120.0° | 120.1° |
N | C | H4 | H6 | 120.0° | 120.0° |
N | C | H5 | H6 | 120.0° | 120.0° |
C | N | C1 | H8 | 1.1° | 0.0° |
N | N1 | C3 | C2 | 0.6° | 0.0° |
N1 | N | C1 | C2 | 0.2° | 0.4° |
N1 | N | C | H4 | 0.0° | 89.7° |
N1 | N | C | H5 | 120.0° | 30.3° |
N1 | N | C | H6 | 120.0° | 150.3° |
N | N1 | C3 | H7 | 179.4° | 180.0° |
N1 | N | C1 | H8 | 179.8° | 179.7° |
C3 | N1 | N | C1 | 0.5° | 0.2° |
N1 | C3 | C2 | H7 | 180.0° | 180.0° |
N1 | C3 | C2 | C1 | 0.5° | 0.3° |
N1 | C3 | C2 | C4 | 178.1° | 180.0° |
N | C1 | C2 | C3 | 0.1° | 0.4° |
N | C1 | C2 | H8 | 180.0° | 179.9° |
N | C1 | C2 | C4 | 177.9° | 179.8° |
C1 | N | C | H4 | 179.0° | 90.0° |
C1 | N | C | H5 | 61.0° | 149.9° |
C1 | N | C | H6 | 59.0° | 30.0° |
C3 | C2 | C1 | C4 | 177.8° | 179.8° |
C3 | C2 | C4 | C5 | 6.7° | 5.0° |
C3 | C2 | C4 | N2 | 174.8° | 174.7° |
C3 | C2 | C1 | H8 | 179.8° | 179.7° |
C16 | C17 | C18 | H3 | 180.0° | 179.7° |
C17 | C16 | C15 | H17 | 180.0° | 179.9° |
C16 | C17 | C18 | C19 | 0.3° | 0.1° |
C17 | C16 | C15 | O1 | 176.0° | 179.9° |
C17 | C16 | C15 | C20 | 1.5° | 0.0° |
C16 | C17 | C18 | H16 | 179.7° | 180.0° |
C18 | C17 | C16 | C15 | 1.1° | 0.1° |
C17 | C18 | C19 | H16 | 180.0° | 179.9° |
C17 | C18 | C19 | C20 | 1.5° | 0.0° |
C17 | C18 | C19 | H15 | 178.5° | 180.0° |
C18 | C17 | C16 | H17 | 178.9° | 180.0° |
C16 | C15 | O1 | C20 | 177.4° | 179.9° |
C16 | C15 | C20 | C19 | 0.3° | 0.1° |
C16 | C15 | O1 | C14 | 178.6° | 173.9° |
C15 | C16 | C17 | H3 | 178.9° | 179.8° |
C16 | C15 | C20 | H14 | 179.7° | 180.0° |
C1 | C2 | C4 | C5 | 170.5° | 174.7° |
C1 | C2 | C4 | N2 | 8.1° | 5.6° |
C1 | C2 | C3 | H7 | 179.5° | 179.8° |
C18 | C19 | C20 | C15 | 1.2° | 0.0° |
C18 | C19 | C20 | H15 | 180.0° | 180.0° |
C19 | C18 | C17 | H3 | 179.7° | 179.8° |
C18 | C19 | C20 | H14 | 178.8° | 180.0° |
C2 | C4 | C5 | N2 | 178.4° | 179.7° |
C2 | C4 | C5 | C6 | 178.5° | 179.7° |
C2 | C4 | N2 | C22 | 179.6° | 179.9° |
C4 | C2 | C3 | H7 | 1.9° | 0.0° |
C4 | C2 | C1 | H8 | 2.1° | 0.0° |
C2 | C4 | C5 | H10 | 1.5° | 0.0° |
O1 | C15 | C20 | C19 | 177.0° | 180.0° |
C15 | O1 | C14 | C21 | 77.8° | 113.1° |
C15 | O1 | C14 | C13 | 105.1° | 67.4° |
O1 | C15 | C20 | H14 | 3.0° | 0.1° |
O1 | C15 | C16 | H17 | 4.0° | 0.0° |
C15 | C20 | C19 | H14 | 180.0° | 179.9° |
C20 | C15 | O1 | C14 | 4.0° | 6.2° |
C15 | C20 | C19 | H15 | 178.8° | 180.0° |
C20 | C15 | C16 | H17 | 178.6° | 179.9° |
C4 | C5 | C6 | H10 | 180.0° | 179.7° |
C5 | C4 | N2 | C22 | 1.9° | 0.2° |
C4 | C5 | C6 | C7 | 1.8° | 0.6° |
C4 | C5 | C6 | H9 | 178.2° | 179.8° |
N2 | C4 | C5 | C6 | 0.0° | 0.6° |
C4 | N2 | C22 | C7 | 1.9° | 0.0° |
C4 | N2 | C22 | C9 | 171.9° | 180.0° |
N2 | C4 | C5 | H10 | 180.0° | 179.8° |
C20 | C19 | C18 | H16 | 178.5° | 179.9° |
O1 | C14 | C21 | C13 | 176.9° | 179.5° |
O1 | C14 | C21 | C10 | 175.0° | 179.7° |
O1 | C14 | C13 | C12 | 176.2° | 180.0° |
O1 | C14 | C21 | H12 | 5.0° | 0.5° |
O1 | C14 | C13 | H13 | 3.8° | 0.6° |
C5 | C6 | C7 | H9 | 180.0° | 179.6° |
C5 | C6 | C7 | C22 | 1.9° | 0.4° |
C5 | C6 | C7 | O | 177.4° | 179.7° |
N2 | C22 | C7 | C6 | 0.1° | 0.1° |
N2 | C22 | C7 | C9 | 172.3° | 180.0° |
N2 | C22 | C7 | O | 176.1° | 180.0° |
N2 | C22 | C9 | C10 | 5.3° | 0.1° |
N2 | C22 | C9 | C8 | 174.7° | 180.0° |
C14 | C21 | C10 | H12 | 180.0° | 179.8° |
C14 | C21 | C10 | C9 | 174.9° | 180.0° |
C14 | C21 | C10 | C11 | 2.4° | 0.1° |
C21 | C14 | C13 | C12 | 0.8° | 0.6° |
C21 | C14 | C13 | H13 | 179.2° | 180.0° |
C10 | C21 | C14 | C13 | 1.9° | 0.2° |
C21 | C10 | C9 | C22 | 20.2° | 130.0° |
C21 | C10 | C9 | C11 | 172.4° | 180.0° |
C21 | C10 | C9 | C8 | 159.8° | 50.1° |
C21 | C10 | C11 | C12 | 1.7° | 0.0° |
C21 | C10 | C11 | H1 | 178.3° | 179.7° |
C6 | C7 | C22 | O | 176.0° | 179.9° |
C6 | C7 | C22 | C9 | 172.2° | 180.0° |
C6 | C7 | O | C8 | 173.1° | 179.9° |
C7 | C6 | C5 | H10 | 178.2° | 179.7° |
C14 | C13 | C12 | H13 | 180.0° | 179.4° |
C14 | C13 | C12 | C11 | 0.1° | 0.6° |
C14 | C13 | C12 | H2 | 179.9° | 179.5° |
C13 | C14 | C21 | H12 | 178.1° | 179.9° |
C7 | C22 | C9 | C10 | 176.6° | 179.9° |
C7 | C22 | C9 | C8 | 3.4° | 0.0° |
C22 | C7 | O | C8 | 2.7° | 0.0° |
C22 | C7 | C6 | H9 | 178.1° | 180.0° |
C9 | C22 | C7 | O | 3.8° | 0.0° |
C22 | C9 | C10 | C8 | 179.9° | 179.9° |
C22 | C9 | C10 | C11 | 152.2° | 50.0° |
C22 | C9 | C8 | O | 1.9° | 0.0° |
C22 | C9 | C8 | H11 | 178.1° | 180.0° |
C7 | O | C8 | C9 | 0.3° | 0.0° |
O | C7 | C6 | H9 | 2.7° | 0.1° |
C7 | O | C8 | H11 | 179.7° | 180.0° |
C10 | C9 | C8 | O | 178.1° | 179.9° |
C9 | C10 | C11 | C12 | 174.3° | 180.0° |
C9 | C10 | C11 | H1 | 5.8° | 0.2° |
C10 | C9 | C8 | H11 | 1.9° | 0.0° |
C9 | C10 | C21 | H12 | 5.1° | 0.2° |
C8 | C9 | C10 | C11 | 27.8° | 130.0° |
C9 | C8 | O | H11 | 180.0° | 180.0° |
C10 | C11 | C12 | C13 | 0.6° | 0.3° |
C10 | C11 | C12 | H1 | 180.0° | 179.7° |
C10 | C11 | C12 | H2 | 179.4° | 179.8° |
C11 | C10 | C21 | H12 | 177.6° | 179.8° |
C13 | C12 | C11 | H2 | 180.0° | 179.9° |
C13 | C12 | C11 | H1 | 179.4° | 179.9° |
C11 | C12 | C13 | H13 | 179.9° | 180.0° |
H1 | C11 | C12 | H2 | 0.6° | 0.1° |
H2 | C12 | C13 | H13 | 0.1° | 0.1° |
H3 | C17 | C18 | H16 | 0.3° | 0.3° |
H3 | C17 | C16 | H17 | 1.1° | 0.3° |
H4 | C | H5 | H6 | 119.9° | 119.9° |
H9 | C6 | C5 | H10 | 1.8° | 0.1° |
H14 | C20 | C19 | H15 | 1.2° | 0.0° |
H15 | C19 | C18 | H16 | 1.5° | 0.1° |