E5H
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C09 | C10 | sing | 1.53Å | 1.52Å | |
C09 | C08 | sing | 1.53Å | 1.50Å | |
C10 | C11 | sing | 1.53Å | 1.50Å | |
C17 | C16 | doub | 1.38Å | 1.43Å | Aromatic |
C17 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
C08 | N07 | sing | 1.47Å | 1.50Å | |
C16 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
C19 | C18 | sing | 1.48Å | 1.56Å | |
C18 | C25 | doub | 1.39Å | 1.43Å | Aromatic |
C11 | C12 | sing | 1.53Å | 1.51Å | |
N07 | C12 | sing | 1.47Å | 1.52Å | |
N07 | C06 | sing | 1.47Å | 1.54Å | |
C15 | O14 | sing | 1.36Å | 1.44Å | |
C15 | C26 | doub | 1.39Å | 1.43Å | Aromatic |
O14 | C13 | sing | 1.43Å | 1.46Å | |
C05 | C04 | sing | 1.53Å | 1.54Å | |
C05 | C06 | sing | 1.53Å | 1.54Å | |
C25 | C26 | sing | 1.38Å | 1.44Å | Aromatic |
N03 | C04 | sing | 1.46Å | 1.49Å | |
N03 | C02 | sing | 1.35Å | 1.46Å | |
C13 | C02 | sing | 1.51Å | 1.60Å | |
C02 | O01 | doub | 1.21Å | 1.24Å | |
N03 | H1 | sing | 0.97Å | 1.00Å | |
C04 | H2 | sing | 1.09Å | 1.10Å | |
C04 | H3 | sing | 1.09Å | 1.10Å | |
C05 | H4 | sing | 1.09Å | 1.10Å | |
C05 | H5 | sing | 1.09Å | 1.10Å | |
C06 | H6 | sing | 1.09Å | 1.10Å | |
C06 | H7 | sing | 1.09Å | 1.10Å | |
C08 | H9 | sing | 1.09Å | 1.10Å | |
C08 | H10 | sing | 1.09Å | 1.10Å | |
C09 | H11 | sing | 1.09Å | 1.10Å | |
C09 | H12 | sing | 1.09Å | 1.10Å | |
C10 | H13 | sing | 1.09Å | 1.10Å | |
C10 | H14 | sing | 1.09Å | 1.10Å | |
C11 | H15 | sing | 1.09Å | 1.10Å | |
C11 | H16 | sing | 1.09Å | 1.10Å | |
C12 | H17 | sing | 1.09Å | 1.10Å | |
C12 | H18 | sing | 1.09Å | 1.10Å | |
C13 | H19 | sing | 1.09Å | 1.10Å | |
C13 | H20 | sing | 1.09Å | 1.10Å | |
C16 | H21 | sing | 1.08Å | 1.08Å | |
C17 | H22 | sing | 1.08Å | 1.08Å | |
C25 | H26 | sing | 1.08Å | 1.08Å | |
C26 | H27 | sing | 1.08Å | 1.08Å | |
C19 | C1 | sing | 1.39Å | 43.21Å | Aromatic |
C1 | C2 | doub | 1.38Å | 0.00Å | Aromatic |
C2 | C3 | sing | 1.38Å | 0.00Å | Aromatic |
C3 | C4 | doub | 1.38Å | 0.00Å | Aromatic |
C4 | C5 | sing | 1.38Å | 0.00Å | Aromatic |
C5 | C19 | doub | 1.39Å | 43.21Å | Aromatic |
C1 | H8 | sing | 1.08Å | 0.00Å | |
C2 | H23 | sing | 1.08Å | 0.00Å | |
C3 | H24 | sing | 1.08Å | 0.00Å | |
C4 | H25 | sing | 1.08Å | 0.00Å | |
C5 | H28 | sing | 1.08Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C10 | C09 | C08 | 111.5° | 109.3° |
C09 | C10 | C11 | 111.7° | 109.2° |
C10 | C09 | H11 | 109.0° | 109.5° |
C10 | C09 | H12 | 109.0° | 109.5° |
C09 | C10 | H13 | 108.9° | 109.5° |
C09 | C10 | H14 | 108.9° | 109.5° |
C09 | C08 | N07 | 108.9° | 109.5° |
C09 | C08 | H9 | 109.6° | 109.4° |
C09 | C08 | H10 | 109.6° | 109.5° |
C08 | C09 | H11 | 109.0° | 109.5° |
C08 | C09 | H12 | 108.9° | 109.5° |
C10 | C11 | C12 | 108.9° | 109.3° |
C11 | C10 | H13 | 108.9° | 109.5° |
C11 | C10 | H14 | 108.9° | 109.5° |
C10 | C11 | H15 | 109.6° | 109.5° |
C10 | C11 | H16 | 109.6° | 109.5° |
C16 | C17 | C18 | 126.7° | 119.9° |
C17 | C16 | C15 | 121.7° | 120.1° |
C17 | C16 | H21 | 119.1° | 119.9° |
C16 | C17 | H22 | 116.6° | 120.0° |
C17 | C18 | C19 | 123.7° | 120.0° |
C17 | C18 | C25 | 110.7° | 119.9° |
C18 | C17 | H22 | 116.7° | 120.1° |
C08 | N07 | C12 | 110.6° | 111.2° |
C08 | N07 | C06 | 104.1° | 111.0° |
N07 | C08 | H9 | 109.6° | 109.5° |
N07 | C08 | H10 | 109.6° | 109.4° |
C16 | C15 | O14 | 121.6° | 119.9° |
C16 | C15 | C26 | 113.2° | 120.1° |
C15 | C16 | H21 | 119.2° | 120.0° |
C19 | C18 | C25 | 125.6° | 120.1° |
C18 | C19 | C1 | 47.9° | 120.1° |
C18 | C19 | C5 | 47.9° | 120.1° |
C18 | C25 | C26 | 123.9° | 119.9° |
C18 | C25 | H26 | 118.1° | 120.0° |
C11 | C12 | N07 | 108.3° | 109.5° |
C12 | C11 | H15 | 109.6° | 109.5° |
C12 | C11 | H16 | 109.6° | 109.5° |
C11 | C12 | H17 | 109.8° | 109.5° |
C11 | C12 | H18 | 109.8° | 109.5° |
C12 | N07 | C06 | 103.4° | 111.0° |
N07 | C12 | H17 | 109.8° | 109.4° |
N07 | C12 | H18 | 109.7° | 109.4° |
N07 | C06 | C05 | 109.5° | 109.4° |
N07 | C06 | H6 | 109.4° | 109.5° |
N07 | C06 | H7 | 109.5° | 109.5° |
O14 | C15 | C26 | 125.3° | 119.9° |
C15 | O14 | C13 | 120.1° | 117.0° |
C15 | C26 | C25 | 123.8° | 120.1° |
C15 | C26 | H27 | 118.1° | 120.0° |
O14 | C13 | C02 | 117.7° | 109.5° |
O14 | C13 | H19 | 107.4° | 109.5° |
O14 | C13 | H20 | 107.4° | 109.5° |
C04 | C05 | C06 | 108.5° | 109.5° |
C05 | C04 | N03 | 117.4° | 109.5° |
C05 | C04 | H2 | 107.5° | 109.4° |
C05 | C04 | H3 | 107.4° | 109.5° |
C04 | C05 | H4 | 109.7° | 109.5° |
C04 | C05 | H5 | 109.7° | 109.5° |
C06 | C05 | H4 | 109.7° | 109.5° |
C06 | C05 | H5 | 109.7° | 109.4° |
C05 | C06 | H6 | 109.5° | 109.5° |
C05 | C06 | H7 | 109.5° | 109.4° |
C26 | C25 | H26 | 118.1° | 120.0° |
C25 | C26 | H27 | 118.1° | 120.0° |
C04 | N03 | C02 | 124.2° | 120.0° |
C04 | N03 | H1 | 117.9° | 120.0° |
N03 | C04 | H2 | 107.4° | 109.5° |
N03 | C04 | H3 | 107.5° | 109.5° |
N03 | C02 | C13 | 119.7° | 120.0° |
N03 | C02 | O01 | 121.3° | 120.0° |
C02 | N03 | H1 | 117.9° | 120.0° |
C13 | C02 | O01 | 119.1° | 120.0° |
C02 | C13 | H19 | 107.4° | 109.5° |
C02 | C13 | H20 | 107.4° | 109.5° |
H2 | C04 | H3 | 109.4° | 109.5° |
H4 | C05 | H5 | 109.5° | 109.5° |
H6 | C06 | H7 | 109.5° | 109.5° |
H9 | C08 | H10 | 109.5° | 109.5° |
H11 | C09 | H12 | 109.5° | 109.5° |
H13 | C10 | H14 | 109.5° | 109.6° |
H15 | C11 | H16 | 109.4° | 109.6° |
H17 | C12 | H18 | 109.5° | 109.5° |
H19 | C13 | H20 | 109.5° | 109.5° |
C19 | C1 | C2 | 90.0° | 119.9° |
C1 | C19 | C5 | 0.0° | 119.7° |
C19 | C1 | H8 | 90.0° | 120.1° |
C1 | C2 | C3 | 90.0° | 120.1° |
C2 | C1 | H8 | 90.0° | 120.0° |
C1 | C2 | H23 | 90.0° | 119.9° |
C2 | C3 | C4 | 90.0° | 120.2° |
C3 | C2 | H23 | 90.0° | 120.0° |
C2 | C3 | H24 | 90.0° | 119.9° |
C3 | C4 | C5 | 90.0° | 120.1° |
C4 | C3 | H24 | 90.0° | 119.9° |
C3 | C4 | H25 | 90.0° | 120.0° |
C4 | C5 | C19 | 90.0° | 119.9° |
C5 | C4 | H25 | 90.0° | 119.9° |
C4 | C5 | H28 | 90.0° | 120.0° |
C19 | C5 | H28 | 90.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C10 | C09 | C08 | H11 | 120.3° | 120.0° |
C10 | C09 | C08 | H12 | 120.3° | 119.9° |
C09 | C10 | C11 | H13 | 120.3° | 119.9° |
C09 | C10 | C11 | H14 | 120.3° | 119.9° |
C10 | C09 | C08 | N07 | 55.6° | 59.2° |
C09 | C10 | C11 | C12 | 57.0° | 57.6° |
C10 | C09 | C08 | H9 | 175.5° | 60.9° |
C10 | C09 | C08 | H10 | 64.3° | 179.1° |
C10 | C09 | H11 | H12 | 119.1° | 120.1° |
C09 | C10 | H13 | H14 | 118.9° | 120.1° |
C09 | C10 | C11 | H15 | 176.9° | 177.6° |
C09 | C10 | C11 | H16 | 63.0° | 62.3° |
C08 | C09 | C10 | C11 | 55.3° | 57.6° |
C09 | C08 | N07 | H9 | 119.9° | 120.0° |
C09 | C08 | N07 | H10 | 119.9° | 120.0° |
C09 | C08 | N07 | C12 | 60.4° | 61.7° |
C09 | C08 | N07 | C06 | 170.8° | 174.2° |
C09 | C08 | H9 | H10 | 120.3° | 120.0° |
C08 | C09 | H11 | H12 | 119.0° | 120.1° |
C08 | C09 | C10 | H13 | 65.1° | 62.3° |
C08 | C09 | C10 | H14 | 175.6° | 177.6° |
C10 | C11 | C12 | H15 | 119.9° | 119.9° |
C10 | C11 | C12 | H16 | 119.9° | 119.9° |
C10 | C11 | C12 | N07 | 60.1° | 59.2° |
C11 | C10 | C09 | H11 | 65.0° | 177.6° |
C11 | C10 | C09 | H12 | 175.6° | 62.3° |
C11 | C10 | H13 | H14 | 119.0° | 120.2° |
C10 | C11 | H15 | H16 | 120.2° | 120.1° |
C10 | C11 | C12 | H17 | 59.7° | 179.2° |
C10 | C11 | C12 | H18 | 179.9° | 60.8° |
C16 | C17 | C18 | H22 | 180.0° | 180.0° |
C17 | C16 | C15 | H21 | 180.0° | 180.0° |
C16 | C17 | C18 | C19 | 179.9° | 180.0° |
C16 | C17 | C18 | C25 | 0.0° | 0.0° |
C17 | C16 | C15 | O14 | 179.9° | 180.0° |
C17 | C16 | C15 | C26 | 0.1° | 0.2° |
C18 | C17 | C16 | C15 | 0.1° | 0.0° |
C17 | C18 | C19 | C25 | 180.0° | 180.0° |
C17 | C18 | C25 | C26 | 0.0° | 0.2° |
C18 | C17 | C16 | H21 | 179.9° | 180.0° |
C17 | C18 | C25 | H26 | 180.0° | 180.0° |
C17 | C18 | C19 | C1 | 154.0° | 180.0° |
C17 | C18 | C19 | C5 | 154.0° | 0.3° |
C08 | N07 | C12 | C11 | 63.2° | 61.7° |
C08 | N07 | C12 | C06 | 110.9° | 124.1° |
C08 | N07 | C06 | C05 | 83.0° | 65.8° |
C08 | N07 | C06 | H6 | 37.0° | 174.2° |
C08 | N07 | C06 | H7 | 156.9° | 54.1° |
N07 | C08 | H9 | H10 | 120.3° | 120.0° |
N07 | C08 | C09 | H11 | 64.7° | 179.1° |
N07 | C08 | C09 | H12 | 175.9° | 60.8° |
C08 | N07 | C12 | H17 | 56.6° | 178.2° |
C08 | N07 | C12 | H18 | 177.0° | 58.3° |
C16 | C15 | O14 | C26 | 179.9° | 179.8° |
C16 | C15 | O14 | C13 | 151.6° | 0.2° |
C16 | C15 | C26 | C25 | 0.0° | 0.4° |
C15 | C16 | C17 | H22 | 179.9° | 180.0° |
C16 | C15 | C26 | H27 | 180.0° | 179.7° |
C19 | C18 | C25 | C26 | 179.9° | 179.8° |
C19 | C18 | C17 | H22 | 0.1° | 0.0° |
C19 | C18 | C25 | H26 | 0.1° | 0.0° |
C18 | C19 | C1 | C5 | 90.0° | 179.8° |
C18 | C19 | C1 | C2 | 90.0° | 180.0° |
C18 | C19 | C5 | C4 | 90.0° | 179.7° |
C18 | C19 | C1 | H8 | 90.0° | 0.0° |
C18 | C19 | C5 | H28 | 90.0° | 0.2° |
C18 | C25 | C26 | C15 | 0.0° | 0.4° |
C18 | C25 | C26 | H26 | 180.0° | 179.8° |
C25 | C18 | C17 | H22 | 180.0° | 180.0° |
C18 | C25 | C26 | H27 | 180.0° | 179.7° |
C25 | C18 | C19 | C1 | 26.0° | 0.0° |
C25 | C18 | C19 | C5 | 26.0° | 179.8° |
C11 | C12 | N07 | H17 | 119.8° | 120.0° |
C11 | C12 | N07 | H18 | 119.8° | 120.0° |
C11 | C12 | N07 | C06 | 174.1° | 174.2° |
C12 | C11 | C10 | H13 | 63.4° | 62.2° |
C12 | C11 | C10 | H14 | 177.3° | 177.6° |
C12 | C11 | H15 | H16 | 120.3° | 120.1° |
C11 | C12 | H17 | H18 | 120.6° | 120.0° |
C12 | N07 | C06 | C05 | 161.4° | 170.0° |
C12 | N07 | C06 | H6 | 78.6° | 50.0° |
C12 | N07 | C06 | H7 | 41.3° | 70.1° |
C12 | N07 | C08 | H9 | 179.7° | 58.3° |
C12 | N07 | C08 | H10 | 59.6° | 178.3° |
N07 | C12 | C11 | H15 | 179.9° | 179.1° |
N07 | C12 | C11 | H16 | 59.8° | 60.8° |
N07 | C12 | H17 | H18 | 120.5° | 119.9° |
N07 | C06 | C05 | C04 | 143.1° | 180.0° |
N07 | C06 | C05 | H6 | 120.0° | 120.0° |
N07 | C06 | C05 | H7 | 120.0° | 120.0° |
N07 | C06 | C05 | H4 | 23.3° | 60.0° |
N07 | C06 | C05 | H5 | 97.1° | 60.0° |
N07 | C06 | H6 | H7 | 120.0° | 120.1° |
C06 | N07 | C08 | H9 | 69.3° | 65.8° |
C06 | N07 | C08 | H10 | 50.9° | 54.2° |
C06 | N07 | C12 | H17 | 54.3° | 54.1° |
C06 | N07 | C12 | H18 | 66.1° | 65.8° |
O14 | C15 | C26 | C25 | 179.9° | 179.8° |
C15 | O14 | C13 | C02 | 177.8° | 180.0° |
C15 | O14 | C13 | H19 | 56.6° | 60.0° |
C15 | O14 | C13 | H20 | 61.0° | 60.0° |
O14 | C15 | C16 | H21 | 0.1° | 0.0° |
O14 | C15 | C26 | H27 | 0.1° | 0.1° |
C26 | C15 | O14 | C13 | 28.3° | 179.9° |
C15 | C26 | C25 | H27 | 180.0° | 179.9° |
C26 | C15 | C16 | H21 | 179.9° | 179.8° |
C15 | C26 | C25 | H26 | 180.0° | 179.8° |
O14 | C13 | C02 | N03 | 8.8° | 179.7° |
O14 | C13 | C02 | H19 | 121.2° | 120.0° |
O14 | C13 | C02 | H20 | 121.2° | 120.0° |
O14 | C13 | C02 | O01 | 170.7° | 0.0° |
O14 | C13 | H19 | H20 | 116.3° | 120.0° |
C04 | C05 | C06 | H4 | 119.8° | 120.0° |
C04 | C05 | C06 | H5 | 119.8° | 120.0° |
C05 | C04 | N03 | H2 | 121.2° | 120.0° |
C05 | C04 | N03 | H3 | 121.1° | 120.0° |
C05 | C04 | N03 | C02 | 139.7° | 180.0° |
C05 | C04 | N03 | H1 | 40.2° | 0.0° |
C05 | C04 | H2 | H3 | 116.4° | 120.0° |
C04 | C05 | H4 | H5 | 120.4° | 120.1° |
C04 | C05 | C06 | H6 | 23.1° | 60.0° |
C04 | C05 | C06 | H7 | 96.9° | 60.0° |
C06 | C05 | C04 | N03 | 177.2° | 180.0° |
C06 | C05 | C04 | H2 | 61.6° | 60.0° |
C06 | C05 | C04 | H3 | 56.1° | 60.0° |
C06 | C05 | H4 | H5 | 120.5° | 120.0° |
C05 | C06 | H6 | H7 | 120.0° | 120.0° |
C04 | N03 | C02 | H1 | 180.0° | 180.0° |
C04 | N03 | C02 | C13 | 179.8° | 179.7° |
C04 | N03 | C02 | O01 | 0.7° | 0.0° |
N03 | C04 | H2 | H3 | 116.4° | 120.0° |
N03 | C04 | C05 | H4 | 62.9° | 60.0° |
N03 | C04 | C05 | H5 | 57.4° | 60.0° |
N03 | C02 | C13 | O01 | 179.5° | 179.7° |
C02 | N03 | C04 | H2 | 99.1° | 60.0° |
C02 | N03 | C04 | H3 | 18.6° | 60.0° |
N03 | C02 | C13 | H19 | 130.0° | 60.3° |
N03 | C02 | C13 | H20 | 112.4° | 59.7° |
C13 | C02 | N03 | H1 | 0.2° | 0.3° |
C02 | C13 | H19 | H20 | 116.3° | 120.0° |
O01 | C02 | N03 | H1 | 179.3° | 180.0° |
O01 | C02 | C13 | H19 | 49.5° | 120.0° |
O01 | C02 | C13 | H20 | 68.1° | 120.0° |
H1 | N03 | C04 | H2 | 80.9° | 120.0° |
H1 | N03 | C04 | H3 | 161.4° | 120.0° |
H2 | C04 | C05 | H4 | 58.3° | 180.0° |
H2 | C04 | C05 | H5 | 178.5° | 60.0° |
H3 | C04 | C05 | H4 | 176.0° | 60.0° |
H3 | C04 | C05 | H5 | 63.8° | 180.0° |
H4 | C05 | C06 | H6 | 96.7° | 180.0° |
H4 | C05 | C06 | H7 | 143.3° | 60.0° |
H5 | C05 | C06 | H6 | 142.9° | 60.0° |
H5 | C05 | C06 | H7 | 23.0° | 180.0° |
H9 | C08 | C09 | H11 | 55.2° | 59.1° |
H9 | C08 | C09 | H12 | 64.2° | 179.2° |
H10 | C08 | C09 | H11 | 175.4° | 60.9° |
H10 | C08 | C09 | H12 | 56.0° | 59.2° |
H11 | C09 | C10 | H13 | 174.6° | 57.7° |
H11 | C09 | C10 | H14 | 55.3° | 62.5° |
H12 | C09 | C10 | H13 | 55.2° | 177.8° |
H12 | C09 | C10 | H14 | 64.1° | 57.6° |
H13 | C10 | C11 | H15 | 56.6° | 57.7° |
H13 | C10 | C11 | H16 | 176.7° | 177.8° |
H14 | C10 | C11 | H15 | 62.8° | 62.5° |
H14 | C10 | C11 | H16 | 57.4° | 57.6° |
H15 | C11 | C12 | H17 | 60.3° | 60.9° |
H15 | C11 | C12 | H18 | 60.1° | 59.1° |
H16 | C11 | C12 | H17 | 179.6° | 59.3° |
H16 | C11 | C12 | H18 | 60.0° | 179.3° |
H21 | C16 | C17 | H22 | 0.1° | 0.0° |
H26 | C25 | C26 | H27 | 0.0° | 0.1° |
C19 | C1 | C2 | H8 | 90.0° | 180.0° |
C19 | C1 | C2 | C3 | 90.0° | 0.0° |
C1 | C19 | C5 | C4 | 90.0° | 0.5° |
C19 | C1 | C2 | H23 | 90.0° | 180.0° |
C1 | C19 | C5 | H28 | 90.0° | 180.0° |
C1 | C2 | C3 | H23 | 90.0° | 180.0° |
C1 | C2 | C3 | C4 | 90.0° | 0.1° |
C2 | C1 | C19 | C5 | 90.0° | 0.3° |
C1 | C2 | C3 | H24 | 90.0° | 180.0° |
C2 | C3 | C4 | H24 | 90.0° | 179.9° |
C2 | C3 | C4 | C5 | 90.0° | 0.2° |
C3 | C2 | C1 | H8 | 90.0° | 180.0° |
C2 | C3 | C4 | H25 | 90.0° | 180.0° |
C3 | C4 | C5 | H25 | 90.0° | 179.8° |
C3 | C4 | C5 | C19 | 90.0° | 0.5° |
C4 | C3 | C2 | H23 | 90.0° | 180.0° |
C3 | C4 | C5 | H28 | 90.0° | 180.0° |
C4 | C5 | C19 | H28 | 90.0° | 179.5° |
C5 | C4 | C3 | H24 | 90.0° | 179.7° |
C5 | C19 | C1 | H8 | 90.0° | 179.7° |
C19 | C5 | C4 | H25 | 90.0° | 179.7° |
H8 | C1 | C2 | H23 | 90.0° | 0.0° |
H23 | C2 | C3 | H24 | 90.0° | 0.0° |
H24 | C3 | C4 | H25 | 90.0° | 0.1° |
H25 | C4 | C5 | H28 | 90.0° | 0.2° |