27W
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C17 | C16 | sing | 1.53Å | 1.61Å | |
C17 | C18 | sing | 1.53Å | 1.58Å | |
C17 | C23 | sing | 1.53Å | 1.57Å | |
C16 | O6 | sing | 1.43Å | 1.45Å | |
C16 | C11 | sing | 1.53Å | 1.59Å | |
C18 | C44 | sing | 1.53Å | 1.55Å | |
C13 | C12 | sing | 1.53Å | 1.57Å | |
C13 | C14 | sing | 1.53Å | 1.56Å | |
C13 | C15 | sing | 1.53Å | 1.56Å | |
C12 | C11 | sing | 1.53Å | 1.58Å | |
C11 | N3 | sing | 1.47Å | 1.47Å | |
N3 | H33 | sing | 1.01Å | 1.00Å | |
C11 | H34 | sing | 1.09Å | 1.10Å | |
C12 | H35 | sing | 1.09Å | 1.10Å | |
C12 | H36 | sing | 1.09Å | 1.10Å | |
C13 | H37 | sing | 1.09Å | 1.10Å | |
C15 | H38 | sing | 1.09Å | 1.10Å | |
C15 | H39 | sing | 1.09Å | 1.10Å | |
C15 | H40 | sing | 1.09Å | 1.10Å | |
C14 | H41 | sing | 1.09Å | 1.10Å | |
C14 | H42 | sing | 1.09Å | 1.10Å | |
C14 | H43 | sing | 1.09Å | 1.10Å | |
C16 | H44 | sing | 1.09Å | 1.10Å | |
O6 | H45 | sing | 0.97Å | 0.95Å | |
C17 | H46 | sing | 1.09Å | 1.10Å | |
C23 | H47 | sing | 1.09Å | 1.10Å | |
C23 | H48 | sing | 1.09Å | 1.10Å | |
C23 | H49 | sing | 1.09Å | 1.10Å | |
C18 | H50 | sing | 1.09Å | 1.10Å | |
C18 | H51 | sing | 1.09Å | 1.10Å | |
C44 | H52 | sing | 1.09Å | 1.10Å | |
C44 | H53 | sing | 1.09Å | 1.10Å | |
C44 | H54 | sing | 1.09Å | 1.10Å | |
N3 | H2 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C16 | C17 | C18 | 116.5° | 109.5° |
C16 | C17 | C23 | 112.9° | 109.5° |
C17 | C16 | O6 | 108.1° | 109.4° |
C17 | C16 | C11 | 120.6° | 109.5° |
C17 | C16 | H44 | 106.2° | 109.5° |
C16 | C17 | H46 | 107.3° | 109.5° |
C18 | C17 | C23 | 104.6° | 109.4° |
C17 | C18 | C44 | 120.9° | 109.5° |
C18 | C17 | H46 | 107.6° | 109.4° |
C17 | C18 | H50 | 106.6° | 109.4° |
C17 | C18 | H51 | 106.5° | 109.5° |
C23 | C17 | H46 | 107.7° | 109.5° |
C17 | C23 | H47 | 109.5° | 109.5° |
C17 | C23 | H48 | 109.5° | 109.5° |
C17 | C23 | H49 | 109.5° | 109.5° |
O6 | C16 | C11 | 107.1° | 109.5° |
O6 | C16 | H44 | 108.0° | 109.5° |
C16 | O6 | H45 | 109.5° | 114.0° |
C16 | C11 | C12 | 114.9° | 109.5° |
C16 | C11 | N3 | 111.2° | 109.5° |
C16 | C11 | H34 | 107.9° | 109.5° |
C11 | C16 | H44 | 106.4° | 109.5° |
C44 | C18 | H50 | 106.5° | 109.4° |
C44 | C18 | H51 | 106.5° | 109.5° |
C18 | C44 | H52 | 109.5° | 109.5° |
C18 | C44 | H53 | 109.5° | 109.5° |
C18 | C44 | H54 | 109.5° | 109.5° |
C12 | C13 | C14 | 109.7° | 109.4° |
C12 | C13 | C15 | 114.0° | 109.5° |
C13 | C12 | C11 | 120.0° | 109.5° |
C13 | C12 | H35 | 106.8° | 109.5° |
C13 | C12 | H36 | 106.8° | 109.5° |
C12 | C13 | H37 | 108.2° | 109.5° |
C14 | C13 | C15 | 108.3° | 109.5° |
C14 | C13 | H37 | 108.3° | 109.5° |
C13 | C14 | H41 | 109.5° | 109.5° |
C13 | C14 | H42 | 109.5° | 109.5° |
C13 | C14 | H43 | 109.5° | 109.5° |
C15 | C13 | H37 | 108.3° | 109.5° |
C13 | C15 | H38 | 109.5° | 109.5° |
C13 | C15 | H39 | 109.4° | 109.5° |
C13 | C15 | H40 | 109.5° | 109.5° |
C12 | C11 | N3 | 105.5° | 109.5° |
C12 | C11 | H34 | 108.0° | 109.4° |
C11 | C12 | H35 | 106.8° | 109.4° |
C11 | C12 | H36 | 106.8° | 109.4° |
C11 | N3 | H33 | 109.5° | 111.0° |
N3 | C11 | H34 | 109.3° | 109.5° |
C11 | N3 | H2 | 109.4° | 110.9° |
H33 | N3 | H2 | 109.5° | 111.0° |
H35 | C12 | H36 | 109.4° | 109.4° |
H38 | C15 | H39 | 109.5° | 109.5° |
H38 | C15 | H40 | 109.5° | 109.5° |
H39 | C15 | H40 | 109.5° | 109.5° |
H41 | C14 | H42 | 109.4° | 109.5° |
H41 | C14 | H43 | 109.5° | 109.4° |
H42 | C14 | H43 | 109.5° | 109.4° |
H47 | C23 | H48 | 109.4° | 109.4° |
H47 | C23 | H49 | 109.5° | 109.5° |
H48 | C23 | H49 | 109.5° | 109.5° |
H50 | C18 | H51 | 109.5° | 109.4° |
H52 | C44 | H53 | 109.5° | 109.4° |
H52 | C44 | H54 | 109.5° | 109.5° |
H53 | C44 | H54 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C16 | C17 | C18 | C23 | 125.3° | 120.0° |
C16 | C17 | C18 | H46 | 120.4° | 120.1° |
C16 | C17 | C23 | H46 | 118.2° | 120.1° |
C17 | C16 | O6 | C11 | 131.3° | 120.0° |
C17 | C16 | O6 | H44 | 114.5° | 120.0° |
C17 | C16 | C11 | H44 | 120.7° | 120.0° |
C16 | C17 | C18 | C44 | 64.8° | 175.0° |
C17 | C16 | C11 | C12 | 167.5° | 178.3° |
C17 | C16 | C11 | N3 | 72.8° | 58.3° |
C17 | C16 | C11 | H34 | 47.0° | 61.7° |
C17 | C16 | O6 | H45 | 180.0° | 60.0° |
C16 | C17 | C23 | H47 | 180.0° | 64.2° |
C16 | C17 | C23 | H48 | 60.0° | 175.8° |
C16 | C17 | C23 | H49 | 60.0° | 55.8° |
C16 | C17 | C18 | H50 | 173.6° | 55.0° |
C16 | C17 | C18 | H51 | 56.8° | 64.9° |
C18 | C17 | C23 | H46 | 114.2° | 119.9° |
C18 | C17 | C16 | O6 | 22.2° | 174.9° |
C18 | C17 | C16 | C11 | 101.3° | 65.1° |
C17 | C18 | C44 | H50 | 121.6° | 120.0° |
C17 | C18 | C44 | H51 | 121.6° | 120.1° |
C18 | C17 | C16 | H44 | 137.9° | 54.9° |
C18 | C17 | C23 | H47 | 52.4° | 175.8° |
C18 | C17 | C23 | H48 | 67.6° | 55.9° |
C18 | C17 | C23 | H49 | 172.4° | 64.2° |
C17 | C18 | H50 | H51 | 114.9° | 120.0° |
C17 | C18 | C44 | H52 | 180.0° | 60.0° |
C17 | C18 | C44 | H53 | 60.0° | 59.9° |
C17 | C18 | C44 | H54 | 60.0° | 179.9° |
C23 | C17 | C16 | O6 | 143.2° | 55.0° |
C23 | C17 | C16 | C11 | 19.7° | 174.9° |
C23 | C17 | C18 | C44 | 60.5° | 65.0° |
C23 | C17 | C16 | H44 | 101.1° | 65.0° |
C17 | C23 | H47 | H48 | 120.0° | 120.0° |
C17 | C23 | H47 | H49 | 120.0° | 120.0° |
C17 | C23 | H48 | H49 | 120.0° | 120.0° |
C23 | C17 | C18 | H50 | 61.1° | 175.0° |
C23 | C17 | C18 | H51 | 177.9° | 55.0° |
O6 | C16 | C11 | H44 | 115.3° | 120.0° |
O6 | C16 | C11 | C12 | 68.5° | 58.4° |
O6 | C16 | C11 | N3 | 51.2° | 61.6° |
O6 | C16 | C11 | H34 | 171.0° | 178.3° |
O6 | C16 | C17 | H46 | 98.3° | 65.1° |
C16 | C11 | C12 | C13 | 116.0° | 175.7° |
C16 | C11 | C12 | N3 | 122.8° | 120.0° |
C16 | C11 | C12 | H34 | 120.4° | 120.0° |
C16 | C11 | N3 | H34 | 119.0° | 120.0° |
C16 | C11 | N3 | H33 | 180.0° | 65.7° |
C16 | C11 | C12 | H35 | 5.5° | 64.2° |
C16 | C11 | C12 | H36 | 122.5° | 55.7° |
C11 | C16 | O6 | H45 | 48.7° | 60.0° |
C11 | C16 | C17 | H46 | 138.2° | 54.9° |
C16 | C11 | N3 | H2 | 60.0° | 58.2° |
C44 | C18 | C17 | H46 | 174.8° | 55.0° |
C44 | C18 | H50 | H51 | 114.8° | 119.9° |
C18 | C44 | H52 | H53 | 120.0° | 119.9° |
C18 | C44 | H52 | H54 | 120.0° | 120.1° |
C18 | C44 | H53 | H54 | 120.0° | 120.0° |
C12 | C13 | C14 | C15 | 125.0° | 120.0° |
C12 | C13 | C14 | H37 | 117.9° | 120.0° |
C12 | C13 | C15 | H37 | 120.5° | 120.0° |
C13 | C12 | C11 | H35 | 121.5° | 120.0° |
C13 | C12 | C11 | H36 | 121.5° | 120.1° |
C13 | C12 | C11 | N3 | 121.2° | 64.2° |
C13 | C12 | C11 | H34 | 4.4° | 55.8° |
C13 | C12 | H35 | H36 | 115.3° | 120.0° |
C12 | C13 | C15 | H38 | 180.0° | 175.2° |
C12 | C13 | C15 | H39 | 60.0° | 55.2° |
C12 | C13 | C15 | H40 | 60.0° | 64.8° |
C12 | C13 | C14 | H41 | 180.0° | 60.0° |
C12 | C13 | C14 | H42 | 60.0° | 180.0° |
C12 | C13 | C14 | H43 | 60.0° | 60.0° |
C14 | C13 | C15 | H37 | 117.1° | 120.0° |
C14 | C13 | C12 | C11 | 172.2° | 65.8° |
C14 | C13 | C12 | H35 | 66.3° | 174.2° |
C14 | C13 | C12 | H36 | 50.7° | 54.2° |
C14 | C13 | C15 | H38 | 57.7° | 64.9° |
C14 | C13 | C15 | H39 | 177.7° | 175.1° |
C14 | C13 | C15 | H40 | 62.4° | 55.1° |
C13 | C14 | H41 | H42 | 120.0° | 120.0° |
C13 | C14 | H41 | H43 | 120.0° | 120.0° |
C13 | C14 | H42 | H43 | 120.0° | 120.0° |
C15 | C13 | C12 | C11 | 50.6° | 174.2° |
C15 | C13 | C12 | H35 | 172.1° | 54.2° |
C15 | C13 | C12 | H36 | 70.8° | 65.8° |
C13 | C15 | H38 | H39 | 120.0° | 120.0° |
C13 | C15 | H38 | H40 | 120.0° | 120.0° |
C13 | C15 | H39 | H40 | 120.0° | 120.0° |
C15 | C13 | C14 | H41 | 55.0° | 180.0° |
C15 | C13 | C14 | H42 | 65.0° | 60.0° |
C15 | C13 | C14 | H43 | 175.0° | 60.0° |
C12 | C11 | N3 | H34 | 115.9° | 120.0° |
C12 | C11 | N3 | H33 | 54.9° | 174.3° |
C11 | C12 | H35 | H36 | 115.2° | 119.9° |
C11 | C12 | C13 | H37 | 69.9° | 54.2° |
C12 | C11 | C16 | H44 | 46.8° | 61.6° |
C12 | C11 | N3 | H2 | 174.8° | 61.8° |
C11 | N3 | H33 | H2 | 120.0° | 123.9° |
N3 | C11 | C12 | H35 | 117.3° | 55.8° |
N3 | C11 | C12 | H36 | 0.3° | 175.7° |
N3 | C11 | C16 | H44 | 166.5° | 178.4° |
H33 | N3 | C11 | H34 | 61.0° | 54.4° |
H34 | C11 | C12 | H35 | 125.9° | 175.8° |
H34 | C11 | C12 | H36 | 117.1° | 64.3° |
H34 | C11 | C16 | H44 | 73.7° | 58.3° |
H34 | C11 | N3 | H2 | 59.0° | 178.3° |
H35 | C12 | C13 | H37 | 51.6° | 65.8° |
H36 | C12 | C13 | H37 | 168.6° | 174.2° |
H37 | C13 | C15 | H38 | 59.5° | 55.1° |
H37 | C13 | C15 | H39 | 60.5° | 64.8° |
H37 | C13 | C15 | H40 | 179.5° | 175.2° |
H37 | C13 | C14 | H41 | 62.1° | 60.0° |
H37 | C13 | C14 | H42 | 177.9° | 60.0° |
H37 | C13 | C14 | H43 | 57.9° | 180.0° |
H38 | C15 | H39 | H40 | 120.0° | 120.0° |
H41 | C14 | H42 | H43 | 120.0° | 119.9° |
H44 | C16 | O6 | H45 | 65.5° | 180.0° |
H44 | C16 | C17 | H46 | 17.4° | 174.9° |
H46 | C17 | C23 | H47 | 61.8° | 55.9° |
H46 | C17 | C23 | H48 | 178.2° | 64.1° |
H46 | C17 | C23 | H49 | 58.2° | 175.9° |
H46 | C17 | C18 | H50 | 53.2° | 65.0° |
H46 | C17 | C18 | H51 | 63.6° | 175.0° |
H47 | C23 | H48 | H49 | 120.0° | 120.0° |
H50 | C18 | C44 | H52 | 58.4° | 180.0° |
H50 | C18 | C44 | H53 | 178.4° | 60.1° |
H50 | C18 | C44 | H54 | 61.6° | 60.0° |
H51 | C18 | C44 | H52 | 58.4° | 60.1° |
H51 | C18 | C44 | H53 | 61.6° | 180.0° |
H51 | C18 | C44 | H54 | 178.4° | 60.0° |
H52 | C44 | H53 | H54 | 120.0° | 120.0° |