ZH4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C11 | C10 | doub | 1.37Å | 1.40Å | Aromatic |
C10 | C09 | sing | 1.40Å | 1.40Å | Aromatic |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C14 | C13 | trip | 1.17Å | 1.22Å | |
C13 | C12 | sing | 1.43Å | 1.49Å | |
C16 | C15 | trip | 1.17Å | 1.21Å | |
C15 | C14 | sing | 1.38Å | 1.49Å | |
C22 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
C18 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
C17 | C16 | sing | 1.43Å | 1.49Å | |
C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
C20 | H20 | sing | 1.08Å | 1.08Å | |
N23 | C21 | sing | 1.40Å | 1.43Å | |
C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
C22 | H22 | sing | 1.08Å | 1.08Å | |
C12 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
C24 | C25 | sing | 1.37Å | 1.41Å | Aromatic |
C24 | H24 | sing | 1.08Å | 1.08Å | |
C05 | C26 | sing | 1.53Å | 1.44Å | |
C28 | C26 | sing | 1.53Å | 1.46Å | |
C26 | O27 | sing | 1.43Å | 1.34Å | |
C26 | H26 | sing | 1.09Å | 1.10Å | |
C28 | H28 | sing | 1.09Å | 1.10Å | |
C28 | H28A | sing | 1.09Å | 1.10Å | |
C28 | H28B | sing | 1.09Å | 1.10Å | |
O01 | C02 | doub | 1.21Å | 1.22Å | |
C05 | C02 | sing | 1.51Å | 1.46Å | |
C02 | N03 | sing | 1.35Å | 1.43Å | |
O04 | N03 | doub | 1.22Å | 1.30Å | |
N06 | C05 | sing | 1.47Å | 1.40Å | |
C05 | H05 | sing | 1.09Å | 1.10Å | |
C07 | N06 | sing | 1.35Å | 1.43Å | |
N06 | HN06 | sing | 0.97Å | 1.00Å | |
C09 | C07 | sing | 1.48Å | 1.49Å | |
C07 | O08 | doub | 1.22Å | 1.22Å | |
C25 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
C12 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C19 | H19 | sing | 1.08Å | 1.08Å | |
N23 | HN23 | sing | 0.97Å | 1.00Å | |
N23 | HN2A | sing | 0.97Å | 1.00Å | |
C25 | H25 | sing | 1.08Å | 1.08Å | |
O27 | HO27 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C11 | C10 | C09 | 118.6° | 120.1° |
C11 | C10 | H10 | 120.7° | 120.0° |
C10 | C11 | C12 | 121.0° | 119.9° |
C10 | C11 | H11 | 119.5° | 120.0° |
C09 | C10 | H10 | 120.7° | 119.9° |
C10 | C09 | C07 | 120.1° | 120.0° |
C10 | C09 | C25 | 120.6° | 120.0° |
C14 | C13 | C12 | 178.1° | 180.0° |
C13 | C14 | C15 | 179.2° | 180.0° |
C13 | C12 | C24 | 122.7° | 120.0° |
C13 | C12 | C11 | 116.6° | 120.0° |
C16 | C15 | C14 | 179.1° | 180.0° |
C15 | C16 | C17 | 178.8° | 180.0° |
C22 | C17 | C18 | 120.7° | 119.7° |
C22 | C17 | C16 | 118.2° | 120.1° |
C17 | C22 | C21 | 120.1° | 119.8° |
C17 | C22 | H22 | 119.9° | 120.1° |
C18 | C17 | C16 | 121.0° | 120.2° |
C17 | C18 | C19 | 119.1° | 120.0° |
C17 | C18 | H18 | 120.5° | 120.0° |
C21 | C20 | C19 | 120.2° | 120.3° |
C21 | C20 | H20 | 119.9° | 119.9° |
C20 | C21 | N23 | 120.2° | 120.0° |
C20 | C21 | C22 | 119.6° | 120.0° |
C19 | C20 | H20 | 119.9° | 119.9° |
C20 | C19 | C18 | 120.4° | 120.3° |
C20 | C19 | H19 | 119.8° | 119.9° |
N23 | C21 | C22 | 120.2° | 120.0° |
C21 | N23 | HN23 | 109.5° | 120.0° |
C21 | N23 | HN2A | 109.4° | 120.0° |
C21 | C22 | H22 | 120.0° | 120.1° |
C12 | C24 | C25 | 118.3° | 119.9° |
C12 | C24 | H24 | 120.9° | 120.0° |
C24 | C12 | C11 | 120.7° | 120.0° |
C25 | C24 | H24 | 120.8° | 120.0° |
C24 | C25 | C09 | 120.8° | 120.1° |
C24 | C25 | H25 | 119.6° | 120.0° |
C05 | C26 | C28 | 114.5° | 109.5° |
C05 | C26 | O27 | 115.1° | 109.5° |
C05 | C26 | H26 | 103.0° | 109.5° |
C26 | C05 | C02 | 114.6° | 109.5° |
C26 | C05 | N06 | 112.6° | 109.4° |
C26 | C05 | H05 | 105.2° | 109.5° |
C28 | C26 | O27 | 114.0° | 109.5° |
C28 | C26 | H26 | 104.5° | 109.5° |
C26 | C28 | H28 | 109.5° | 109.5° |
C26 | C28 | H28A | 109.5° | 109.4° |
C26 | C28 | H28B | 109.5° | 109.5° |
O27 | C26 | H26 | 103.8° | 109.5° |
C26 | O27 | HO27 | 109.5° | 114.0° |
H28 | C28 | H28A | 109.5° | 109.4° |
H28 | C28 | H28B | 109.4° | 109.5° |
H28A | C28 | H28B | 109.5° | 109.5° |
O01 | C02 | C05 | 120.7° | 120.1° |
O01 | C02 | N03 | 118.1° | 120.0° |
C05 | C02 | N03 | 120.8° | 120.0° |
C02 | C05 | N06 | 114.3° | 109.5° |
C02 | C05 | H05 | 103.1° | 109.5° |
C02 | N03 | O04 | 117.8° | 120.0° |
N06 | C05 | H05 | 105.6° | 109.5° |
C05 | N06 | C07 | 122.4° | 120.0° |
C05 | N06 | HN06 | 118.8° | 120.0° |
C07 | N06 | HN06 | 118.8° | 120.0° |
N06 | C07 | C09 | 116.6° | 120.0° |
N06 | C07 | O08 | 121.7° | 120.0° |
C09 | C07 | O08 | 121.0° | 120.0° |
C07 | C09 | C25 | 119.2° | 120.0° |
C09 | C25 | H25 | 119.6° | 120.0° |
C12 | C11 | H11 | 119.5° | 120.1° |
C19 | C18 | H18 | 120.4° | 120.0° |
C18 | C19 | H19 | 119.8° | 119.9° |
HN23 | N23 | HN2A | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C11 | C10 | C09 | H10 | 180.0° | 179.7° |
C10 | C11 | C12 | C13 | 179.1° | 180.0° |
C10 | C11 | C12 | C24 | 0.2° | 0.1° |
C11 | C10 | C09 | C07 | 176.5° | 179.7° |
C11 | C10 | C09 | C25 | 0.4° | 0.2° |
C10 | C11 | C12 | H11 | 180.0° | 179.9° |
C10 | C09 | C25 | C24 | 0.3° | 0.5° |
C10 | C09 | C07 | N06 | 131.0° | 180.0° |
C10 | C09 | C07 | C25 | 176.1° | 180.0° |
C10 | C09 | C07 | O08 | 39.0° | 0.0° |
C09 | C10 | C11 | C12 | 0.1° | 0.0° |
C09 | C10 | C11 | H11 | 179.9° | 179.9° |
C10 | C09 | C25 | H25 | 179.6° | 180.0° |
H10 | C10 | C09 | C07 | 3.5° | 0.0° |
H10 | C10 | C09 | C25 | 179.6° | 179.9° |
H10 | C10 | C11 | C12 | 179.9° | 179.7° |
H10 | C10 | C11 | H11 | 0.1° | 0.3° |
C13 | C14 | C15 | C16 | 13.9° | 180.0° |
C14 | C13 | C12 | C24 | 130.4° | 72.0° |
C14 | C13 | C12 | C11 | 48.5° | 108.1° |
C12 | C13 | C14 | C15 | 10.0° | 39.7° |
C13 | C12 | C24 | C11 | 178.8° | 179.9° |
C13 | C12 | C24 | C25 | 179.1° | 179.7° |
C13 | C12 | C24 | H24 | 0.9° | 0.1° |
C13 | C12 | C11 | H11 | 0.9° | 0.1° |
C15 | C16 | C17 | C22 | 83.6° | 131.1° |
C15 | C16 | C17 | C18 | 94.6° | 49.2° |
C14 | C15 | C16 | C17 | 13.7° | 19.4° |
C22 | C17 | C18 | C16 | 178.1° | 179.7° |
C17 | C22 | C21 | C20 | 0.5° | 0.1° |
C17 | C22 | C21 | N23 | 178.5° | 179.7° |
C17 | C22 | C21 | H22 | 180.0° | 179.9° |
C22 | C17 | C18 | C19 | 1.0° | 0.3° |
C22 | C17 | C18 | H18 | 179.0° | 179.8° |
C17 | C18 | C19 | C20 | 0.5° | 0.0° |
C18 | C17 | C22 | C21 | 1.0° | 0.2° |
C18 | C17 | C22 | H22 | 179.0° | 179.7° |
C17 | C18 | C19 | H18 | 180.0° | 179.9° |
C17 | C18 | C19 | H19 | 179.5° | 179.7° |
C16 | C17 | C22 | C21 | 179.2° | 179.9° |
C16 | C17 | C22 | H22 | 0.8° | 0.0° |
C16 | C17 | C18 | C19 | 179.1° | 179.9° |
C16 | C17 | C18 | H18 | 0.9° | 0.1° |
C21 | C20 | C19 | H20 | 180.0° | 179.7° |
C20 | C21 | N23 | C22 | 177.9° | 179.7° |
C20 | C21 | C22 | H22 | 179.5° | 180.0° |
C21 | C20 | C19 | C18 | 0.0° | 0.3° |
C21 | C20 | C19 | H19 | 179.9° | 180.0° |
C20 | C21 | N23 | HN23 | 180.0° | 0.0° |
C20 | C21 | N23 | HN2A | 60.0° | 180.0° |
C19 | C20 | C21 | N23 | 178.0° | 180.0° |
C19 | C20 | C21 | C22 | 0.0° | 0.3° |
C20 | C19 | C18 | H19 | 180.0° | 179.8° |
C20 | C19 | C18 | H18 | 179.5° | 179.9° |
H20 | C20 | C21 | N23 | 2.0° | 0.3° |
H20 | C20 | C21 | C22 | 180.0° | 180.0° |
H20 | C20 | C19 | C18 | 180.0° | 180.0° |
H20 | C20 | C19 | H19 | 0.1° | 0.3° |
N23 | C21 | C22 | H22 | 1.5° | 0.4° |
C21 | N23 | HN23 | HN2A | 120.0° | 180.0° |
C22 | C21 | N23 | HN23 | 2.0° | 179.7° |
C22 | C21 | N23 | HN2A | 122.1° | 0.3° |
C12 | C24 | C25 | H24 | 180.0° | 179.6° |
C12 | C24 | C25 | C09 | 0.0° | 0.4° |
C24 | C12 | C11 | H11 | 179.8° | 180.0° |
C12 | C24 | C25 | H25 | 180.0° | 180.0° |
C24 | C25 | C09 | C07 | 176.5° | 179.5° |
C24 | C25 | C09 | H25 | 180.0° | 179.6° |
C25 | C24 | C12 | C11 | 0.3° | 0.1° |
H24 | C24 | C25 | C09 | 180.0° | 180.0° |
H24 | C24 | C12 | C11 | 179.7° | 179.7° |
H24 | C24 | C25 | H25 | 0.0° | 0.4° |
C05 | C26 | C28 | O27 | 135.5° | 120.0° |
C05 | C26 | C28 | H26 | 111.9° | 120.0° |
C05 | C26 | O27 | H26 | 111.8° | 120.0° |
C05 | C26 | C28 | H28 | 180.0° | 60.1° |
C05 | C26 | C28 | H28A | 60.0° | 180.0° |
C05 | C26 | C28 | H28B | 60.0° | 60.0° |
C26 | C05 | C02 | O01 | 94.8° | 120.0° |
C26 | C05 | C02 | N06 | 132.1° | 120.0° |
C26 | C05 | C02 | H05 | 113.8° | 120.1° |
C26 | C05 | C02 | N03 | 92.7° | 60.0° |
C26 | C05 | N06 | H05 | 114.3° | 120.0° |
C26 | C05 | N06 | C07 | 107.1° | 85.0° |
C26 | C05 | N06 | HN06 | 72.8° | 95.0° |
C05 | C26 | O27 | HO27 | 180.0° | 180.0° |
C28 | C26 | O27 | H26 | 113.0° | 120.0° |
C26 | C28 | H28 | H28A | 120.0° | 119.9° |
C26 | C28 | H28 | H28B | 120.0° | 120.0° |
C26 | C28 | H28A | H28B | 120.0° | 120.0° |
C28 | C26 | C05 | C02 | 91.2° | 175.0° |
C28 | C26 | C05 | N06 | 41.7° | 55.0° |
C28 | C26 | C05 | H05 | 156.3° | 65.0° |
C28 | C26 | O27 | HO27 | 44.7° | 60.0° |
O27 | C26 | C28 | H28 | 44.5° | 60.0° |
O27 | C26 | C28 | H28A | 164.5° | 59.9° |
O27 | C26 | C28 | H28B | 75.5° | 180.0° |
O27 | C26 | C05 | C02 | 43.8° | 54.9° |
O27 | C26 | C05 | N06 | 176.7° | 65.0° |
O27 | C26 | C05 | H05 | 68.8° | 175.0° |
H26 | C26 | C28 | H28 | 68.1° | 179.9° |
H26 | C26 | C28 | H28A | 52.0° | 60.0° |
H26 | C26 | C28 | H28B | 172.0° | 60.0° |
H26 | C26 | C05 | C02 | 156.0° | 65.0° |
H26 | C26 | C05 | N06 | 71.1° | 175.0° |
H26 | C26 | C05 | H05 | 43.5° | 55.0° |
H26 | C26 | O27 | HO27 | 68.2° | 60.0° |
H28 | C28 | H28A | H28B | 120.0° | 120.0° |
O01 | C02 | C05 | N03 | 172.5° | 180.0° |
O01 | C02 | N03 | O04 | 5.3° | 0.0° |
O01 | C02 | C05 | N06 | 37.4° | 0.0° |
O01 | C02 | C05 | H05 | 151.4° | 120.0° |
C05 | C02 | N03 | O04 | 178.0° | 180.0° |
C02 | C05 | N06 | H05 | 112.6° | 120.0° |
C02 | C05 | N06 | C07 | 119.8° | 155.0° |
C02 | C05 | N06 | HN06 | 60.2° | 25.0° |
N03 | C02 | C05 | N06 | 135.1° | 180.0° |
N03 | C02 | C05 | H05 | 21.1° | 60.0° |
C05 | N06 | C07 | HN06 | 180.0° | 180.0° |
C05 | N06 | C07 | C09 | 179.0° | 180.0° |
C05 | N06 | C07 | O08 | 9.1° | 0.0° |
H05 | C05 | N06 | C07 | 7.2° | 35.0° |
H05 | C05 | N06 | HN06 | 172.9° | 145.0° |
N06 | C07 | C09 | O08 | 170.0° | 180.0° |
N06 | C07 | C09 | C25 | 45.2° | 0.1° |
HN06 | N06 | C07 | C09 | 1.0° | 0.0° |
HN06 | N06 | C07 | O08 | 170.9° | 180.0° |
C07 | C09 | C25 | H25 | 3.5° | 0.1° |
O08 | C07 | C09 | C25 | 144.8° | 179.9° |
H18 | C18 | C19 | H19 | 0.5° | 0.2° |