S3N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F01 | C02 | sing | 1.40Å | 1.30Å | |
C02 | F03 | sing | 1.40Å | 1.30Å | |
C02 | F04 | sing | 1.40Å | 1.30Å | |
C02 | C05 | sing | 1.51Å | 1.49Å | |
C05 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
C05 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
C06 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
C07 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
C08 | C09 | doub | 1.40Å | 1.38Å | Aromatic |
C08 | C11 | sing | 1.47Å | 1.52Å | |
C09 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
C11 | O12 | doub | 1.21Å | 1.24Å | |
C11 | C13 | sing | 1.51Å | 1.49Å | |
C13 | C14 | sing | 1.54Å | 1.51Å | |
C13 | C17 | sing | 1.54Å | 1.49Å | |
C14 | N15 | sing | 1.49Å | 1.46Å | |
N15 | C16 | sing | 1.49Å | 1.49Å | |
C16 | C17 | sing | 1.54Å | 1.53Å | |
C17 | C18 | sing | 1.51Å | 1.49Å | |
C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
C18 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
C19 | C20 | doub | 1.40Å | 1.42Å | Aromatic |
C20 | C21 | sing | 1.41Å | 1.37Å | Aromatic |
C20 | N28 | sing | 1.36Å | 1.46Å | |
C21 | C22 | doub | 1.39Å | 1.44Å | Aromatic |
C21 | C24 | sing | 1.47Å | 1.50Å | |
C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
C24 | O25 | doub | 1.22Å | 1.22Å | |
C24 | N26 | sing | 1.35Å | 1.41Å | |
N26 | C27 | sing | 1.36Å | 1.43Å | |
C27 | N28 | doub | 1.30Å | 1.44Å | |
C06 | H06 | sing | 1.08Å | 1.08Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C07 | H07 | sing | 1.08Å | 1.08Å | |
C09 | H09 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H141 | sing | 1.09Å | 1.10Å | |
C14 | H142 | sing | 1.09Å | 1.10Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
N15 | H15 | sing | 1.01Å | 1.00Å | |
C16 | H161 | sing | 1.09Å | 1.10Å | |
C16 | H162 | sing | 1.09Å | 1.10Å | |
C19 | H19 | sing | 1.08Å | 1.08Å | |
C23 | H23 | sing | 1.08Å | 1.08Å | |
C22 | H22 | sing | 1.08Å | 1.08Å | |
N26 | H26 | sing | 0.97Å | 1.00Å | |
C27 | H27 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F01 | C02 | F03 | 102.8° | 109.5° |
F01 | C02 | F04 | 113.1° | 109.5° |
F01 | C02 | C05 | 112.1° | 109.5° |
F03 | C02 | F04 | 103.8° | 109.5° |
F03 | C02 | C05 | 114.0° | 109.4° |
F04 | C02 | C05 | 110.5° | 109.5° |
C02 | C05 | C06 | 118.9° | 119.9° |
C02 | C05 | C10 | 120.4° | 119.8° |
C06 | C05 | C10 | 120.6° | 120.3° |
C05 | C06 | C07 | 119.6° | 120.2° |
C05 | C06 | H06 | 120.2° | 119.9° |
C05 | C10 | C09 | 120.2° | 120.2° |
C05 | C10 | H10 | 119.9° | 119.9° |
C06 | C07 | C08 | 119.5° | 119.8° |
C07 | C06 | H06 | 120.2° | 119.9° |
C06 | C07 | H07 | 120.3° | 120.1° |
C07 | C08 | C09 | 121.3° | 119.6° |
C07 | C08 | C11 | 121.9° | 120.2° |
C08 | C07 | H07 | 120.3° | 120.0° |
C09 | C08 | C11 | 116.8° | 120.2° |
C08 | C09 | C10 | 118.8° | 119.8° |
C08 | C09 | H09 | 120.6° | 120.1° |
C08 | C11 | O12 | 120.0° | 120.0° |
C08 | C11 | C13 | 121.7° | 120.0° |
C09 | C10 | H10 | 119.9° | 119.9° |
C10 | C09 | H09 | 120.6° | 120.1° |
O12 | C11 | C13 | 118.3° | 120.0° |
C11 | C13 | C14 | 112.7° | 110.3° |
C11 | C13 | C17 | 105.3° | 110.3° |
C11 | C13 | H13 | 111.6° | 110.3° |
C14 | C13 | C17 | 104.0° | 105.1° |
C13 | C14 | N15 | 104.0° | 104.6° |
C14 | C13 | H13 | 111.3° | 110.3° |
C13 | C14 | H141 | 110.8° | 110.3° |
C13 | C14 | H142 | 110.8° | 110.4° |
C13 | C17 | C16 | 101.0° | 105.0° |
C13 | C17 | C18 | 124.0° | 110.3° |
C17 | C13 | H13 | 111.7° | 110.4° |
C13 | C17 | H17 | 110.0° | 110.3° |
C14 | N15 | C16 | 106.7° | 104.3° |
N15 | C14 | H141 | 110.8° | 110.4° |
N15 | C14 | H142 | 110.8° | 110.4° |
C14 | N15 | H15 | 110.2° | 111.0° |
N15 | C16 | C17 | 107.1° | 104.6° |
C16 | N15 | H15 | 110.1° | 111.0° |
N15 | C16 | H161 | 110.1° | 110.4° |
N15 | C16 | H162 | 110.1° | 110.4° |
C16 | C17 | C18 | 101.1° | 110.3° |
C16 | C17 | H17 | 109.3° | 110.3° |
C17 | C16 | H161 | 110.1° | 110.4° |
C17 | C16 | H162 | 110.1° | 110.4° |
C17 | C18 | C19 | 119.6° | 119.6° |
C17 | C18 | C23 | 121.4° | 119.6° |
C18 | C17 | H17 | 109.9° | 110.4° |
C19 | C18 | C23 | 119.0° | 120.8° |
C18 | C19 | C20 | 122.0° | 119.7° |
C18 | C19 | H19 | 119.0° | 120.1° |
C18 | C23 | C22 | 119.2° | 120.6° |
C18 | C23 | H23 | 120.4° | 119.8° |
C19 | C20 | C21 | 119.4° | 119.3° |
C19 | C20 | N28 | 118.1° | 121.6° |
C20 | C19 | H19 | 119.0° | 120.2° |
C21 | C20 | N28 | 122.5° | 119.1° |
C20 | C21 | C22 | 119.3° | 120.1° |
C20 | C21 | C24 | 120.4° | 118.0° |
C20 | N28 | C27 | 117.2° | 121.6° |
C22 | C21 | C24 | 120.3° | 121.9° |
C21 | C22 | C23 | 121.0° | 119.5° |
C21 | C22 | H22 | 119.5° | 120.3° |
C21 | C24 | O25 | 120.7° | 121.3° |
C21 | C24 | N26 | 117.1° | 117.4° |
C22 | C23 | H23 | 120.4° | 119.7° |
C23 | C22 | H22 | 119.5° | 120.2° |
O25 | C24 | N26 | 122.2° | 121.3° |
C24 | N26 | C27 | 122.0° | 120.6° |
C24 | N26 | H26 | 119.0° | 119.7° |
N26 | C27 | N28 | 120.8° | 123.4° |
C27 | N26 | H26 | 119.0° | 119.7° |
N26 | C27 | H27 | 119.6° | 118.3° |
N28 | C27 | H27 | 119.6° | 118.3° |
H141 | C14 | H142 | 109.5° | 110.5° |
H161 | C16 | H162 | 109.4° | 110.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F01 | C02 | F03 | F04 | 118.1° | 120.0° |
F01 | C02 | F03 | C05 | 121.6° | 120.0° |
F01 | C02 | F04 | C05 | 126.7° | 120.1° |
F01 | C02 | C05 | C06 | 107.5° | 90.0° |
F01 | C02 | C05 | C10 | 73.8° | 90.3° |
F03 | C02 | F04 | C05 | 122.7° | 120.0° |
F03 | C02 | C05 | C06 | 136.2° | 30.0° |
F03 | C02 | C05 | C10 | 42.5° | 149.7° |
F04 | C02 | C05 | C06 | 19.8° | 150.0° |
F04 | C02 | C05 | C10 | 158.9° | 29.8° |
C02 | C05 | C06 | C10 | 178.7° | 179.7° |
C02 | C05 | C06 | C07 | 179.3° | 180.0° |
C02 | C05 | C10 | C09 | 178.6° | 179.8° |
C02 | C05 | C06 | H06 | 0.8° | 0.0° |
C02 | C05 | C10 | H10 | 1.4° | 0.0° |
C05 | C06 | C07 | H06 | 180.0° | 179.9° |
C05 | C06 | C07 | C08 | 1.4° | 0.1° |
C06 | C05 | C10 | C09 | 0.0° | 0.5° |
C06 | C05 | C10 | H10 | 180.0° | 179.7° |
C05 | C06 | C07 | H07 | 178.6° | 179.9° |
C10 | C05 | C06 | C07 | 0.6° | 0.3° |
C05 | C10 | C09 | C08 | 0.2° | 0.5° |
C05 | C10 | C09 | H10 | 180.0° | 179.8° |
C10 | C05 | C06 | H06 | 179.4° | 179.8° |
C05 | C10 | C09 | H09 | 179.8° | 179.7° |
C06 | C07 | C08 | H07 | 180.0° | 180.0° |
C06 | C07 | C08 | C09 | 1.7° | 0.0° |
C06 | C07 | C08 | C11 | 179.0° | 180.0° |
C07 | C08 | C09 | C11 | 179.3° | 180.0° |
C07 | C08 | C09 | C10 | 1.1° | 0.2° |
C07 | C08 | C11 | O12 | 2.3° | 0.0° |
C07 | C08 | C11 | C13 | 178.4° | 180.0° |
C08 | C07 | C06 | H06 | 178.6° | 180.0° |
C07 | C08 | C09 | H09 | 178.9° | 180.0° |
C08 | C09 | C10 | H09 | 180.0° | 179.8° |
C09 | C08 | C11 | O12 | 178.4° | 180.0° |
C09 | C08 | C11 | C13 | 0.9° | 0.0° |
C08 | C09 | C10 | H10 | 179.8° | 179.7° |
C09 | C08 | C07 | H07 | 178.3° | 180.0° |
C11 | C08 | C09 | C10 | 179.6° | 179.8° |
C08 | C11 | O12 | C13 | 179.3° | 180.0° |
C08 | C11 | C13 | C14 | 71.4° | 91.5° |
C08 | C11 | C13 | C17 | 175.9° | 152.9° |
C11 | C08 | C07 | H07 | 1.0° | 0.0° |
C11 | C08 | C09 | H09 | 0.4° | 0.0° |
C08 | C11 | C13 | H13 | 54.6° | 30.7° |
O12 | C11 | C13 | C14 | 109.2° | 88.6° |
O12 | C11 | C13 | C17 | 3.4° | 27.1° |
O12 | C11 | C13 | H13 | 124.7° | 149.3° |
C11 | C13 | C14 | C17 | 113.4° | 118.9° |
C11 | C13 | C14 | H13 | 126.2° | 122.1° |
C11 | C13 | C17 | H13 | 121.3° | 122.1° |
C11 | C13 | C14 | N15 | 153.5° | 95.0° |
C11 | C13 | C17 | C16 | 158.4° | 118.9° |
C11 | C13 | C17 | C18 | 90.1° | 122.2° |
C11 | C13 | C14 | H141 | 87.4° | 146.2° |
C11 | C13 | C14 | H142 | 34.4° | 23.7° |
C11 | C13 | C17 | H17 | 43.0° | 0.0° |
C14 | C13 | C17 | H13 | 120.1° | 119.0° |
C13 | C14 | N15 | H141 | 119.1° | 118.7° |
C13 | C14 | N15 | H142 | 119.1° | 118.8° |
C13 | C14 | N15 | C16 | 22.9° | 39.5° |
C14 | C13 | C17 | C16 | 39.7° | 0.0° |
C14 | C13 | C17 | C18 | 151.3° | 118.9° |
C13 | C14 | H141 | H142 | 122.6° | 122.4° |
C14 | C13 | C17 | H17 | 75.7° | 118.8° |
C13 | C14 | N15 | H15 | 96.6° | 159.0° |
C17 | C13 | C14 | N15 | 40.1° | 23.8° |
C13 | C17 | C16 | N15 | 25.9° | 23.9° |
C13 | C17 | C16 | C18 | 128.2° | 118.9° |
C13 | C17 | C16 | H17 | 115.9° | 118.9° |
C13 | C17 | C18 | H17 | 133.1° | 122.2° |
C13 | C17 | C18 | C19 | 26.6° | 120.0° |
C13 | C17 | C18 | C23 | 153.7° | 59.7° |
C17 | C13 | C14 | H141 | 159.2° | 94.9° |
C17 | C13 | C14 | H142 | 79.0° | 142.6° |
C13 | C17 | C16 | H161 | 93.8° | 94.9° |
C13 | C17 | C16 | H162 | 145.6° | 142.7° |
C14 | N15 | C16 | H15 | 119.6° | 119.5° |
C14 | N15 | C16 | C17 | 1.8° | 39.5° |
N15 | C14 | C13 | H13 | 80.3° | 142.9° |
N15 | C14 | H141 | H142 | 122.6° | 122.5° |
C14 | N15 | C16 | H161 | 117.9° | 79.3° |
C14 | N15 | C16 | H162 | 121.4° | 158.3° |
N15 | C16 | C17 | H161 | 119.7° | 118.8° |
N15 | C16 | C17 | H162 | 119.7° | 118.8° |
N15 | C16 | C17 | C18 | 154.1° | 142.8° |
C16 | N15 | C14 | H141 | 142.0° | 79.2° |
C16 | N15 | C14 | H142 | 96.2° | 158.3° |
N15 | C16 | C17 | H17 | 90.0° | 95.0° |
N15 | C16 | H161 | H162 | 121.1° | 122.4° |
C16 | C17 | C18 | H17 | 115.5° | 122.2° |
C16 | C17 | C18 | C19 | 84.8° | 124.4° |
C16 | C17 | C18 | C23 | 94.8° | 55.9° |
C16 | C17 | C13 | H13 | 80.4° | 119.0° |
C17 | C16 | N15 | H15 | 121.3° | 159.1° |
C17 | C16 | H161 | H162 | 121.1° | 122.4° |
C17 | C18 | C19 | C23 | 179.7° | 179.8° |
C17 | C18 | C19 | C20 | 178.5° | 180.0° |
C17 | C18 | C23 | C22 | 178.4° | 179.7° |
C18 | C17 | C13 | H13 | 31.2° | 0.1° |
C18 | C17 | C16 | H161 | 34.4° | 23.9° |
C18 | C17 | C16 | H162 | 86.2° | 98.5° |
C17 | C18 | C19 | H19 | 1.5° | 0.0° |
C17 | C18 | C23 | H23 | 1.6° | 0.0° |
C18 | C19 | C20 | H19 | 180.0° | 180.0° |
C18 | C19 | C20 | C21 | 0.6° | 0.0° |
C18 | C19 | C20 | N28 | 178.7° | 180.0° |
C19 | C18 | C23 | C22 | 1.2° | 0.5° |
C19 | C18 | C17 | H17 | 159.7° | 2.1° |
C19 | C18 | C23 | H23 | 178.8° | 179.7° |
C23 | C18 | C19 | C20 | 1.2° | 0.2° |
C18 | C23 | C22 | C21 | 0.8° | 0.5° |
C18 | C23 | C22 | H23 | 180.0° | 179.8° |
C23 | C18 | C17 | H17 | 20.7° | 178.1° |
C23 | C18 | C19 | H19 | 178.8° | 179.8° |
C18 | C23 | C22 | H22 | 179.3° | 179.8° |
C19 | C20 | C21 | N28 | 178.0° | 180.0° |
C19 | C20 | C21 | C22 | 0.1° | 0.0° |
C19 | C20 | C21 | C24 | 179.5° | 180.0° |
C19 | C20 | N28 | C27 | 179.1° | 180.0° |
C20 | C21 | C22 | C24 | 179.4° | 179.9° |
C20 | C21 | C22 | C23 | 0.2° | 0.3° |
C20 | C21 | C24 | O25 | 177.7° | 180.0° |
C20 | C21 | C24 | N26 | 1.0° | 0.0° |
C21 | C20 | N28 | C27 | 2.9° | 0.0° |
C21 | C20 | C19 | H19 | 179.4° | 180.0° |
C20 | C21 | C22 | H22 | 179.9° | 180.0° |
N28 | C20 | C21 | C22 | 178.1° | 179.9° |
N28 | C20 | C21 | C24 | 2.5° | 0.0° |
C20 | N28 | C27 | N26 | 1.7° | 0.1° |
N28 | C20 | C19 | H19 | 1.3° | 0.0° |
C20 | N28 | C27 | H27 | 178.3° | 180.0° |
C21 | C22 | C23 | H22 | 180.0° | 179.7° |
C22 | C21 | C24 | O25 | 1.7° | 0.0° |
C22 | C21 | C24 | N26 | 179.6° | 179.9° |
C21 | C22 | C23 | H23 | 179.3° | 179.7° |
C24 | C21 | C22 | C23 | 179.6° | 179.8° |
C21 | C24 | O25 | N26 | 178.6° | 180.0° |
C21 | C24 | N26 | C27 | 0.1° | 0.0° |
C24 | C21 | C22 | H22 | 0.4° | 0.1° |
C21 | C24 | N26 | H26 | 179.9° | 180.0° |
O25 | C24 | N26 | C27 | 178.8° | 180.0° |
O25 | C24 | N26 | H26 | 1.2° | 0.1° |
C24 | N26 | C27 | H26 | 180.0° | 179.9° |
C24 | N26 | C27 | N28 | 0.3° | 0.1° |
C24 | N26 | C27 | H27 | 179.7° | 180.0° |
N26 | C27 | N28 | H27 | 180.0° | 179.9° |
N28 | C27 | N26 | H26 | 179.7° | 180.0° |
H06 | C06 | C07 | H07 | 1.4° | 0.0° |
H10 | C10 | C09 | H09 | 0.2° | 0.1° |
H13 | C13 | C14 | H141 | 38.8° | 24.1° |
H13 | C13 | C14 | H142 | 160.6° | 98.3° |
H13 | C13 | C17 | H17 | 164.2° | 122.2° |
H141 | C14 | N15 | H15 | 22.5° | 40.3° |
H142 | C14 | N15 | H15 | 144.3° | 82.2° |
H17 | C17 | C16 | H161 | 150.4° | 146.2° |
H17 | C17 | C16 | H162 | 29.7° | 23.8° |
H15 | N15 | C16 | H161 | 1.7° | 40.3° |
H15 | N15 | C16 | H162 | 119.0° | 82.2° |
H23 | C23 | C22 | H22 | 0.7° | 0.0° |
H26 | N26 | C27 | H27 | 0.3° | 0.1° |