MG8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.52Å | 1.52Å | |
C1 | H11A | sing | 1.09Å | 1.10Å | |
C1 | H12A | sing | 1.10Å | 1.10Å | |
C1 | H13A | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C2 | H21 | sing | 1.10Å | 1.10Å | |
C2 | H22 | sing | 1.10Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | H31 | sing | 1.10Å | 1.10Å | |
C3 | H32 | sing | 1.10Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C4 | H41 | sing | 1.10Å | 1.10Å | |
C4 | H42 | sing | 1.10Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | H51 | sing | 1.10Å | 1.10Å | |
C5 | H52 | sing | 1.10Å | 1.10Å | |
C6 | C7 | sing | 1.53Å | 1.52Å | |
C6 | H61 | sing | 1.10Å | 1.10Å | |
C6 | H62 | sing | 1.10Å | 1.10Å | |
C7 | C8 | sing | 1.52Å | 1.51Å | |
C7 | H71 | sing | 1.10Å | 1.10Å | |
C7 | H72 | sing | 1.09Å | 1.10Å | |
C8 | O8 | doub | 1.23Å | 34.85Å | |
C8 | N | sing | 1.40Å | 34.85Å | |
N | C9 | sing | 1.46Å | 0.00Å | |
N | C15 | sing | 1.46Å | 0.00Å | |
C9 | C10 | sing | 1.53Å | 0.00Å | |
C9 | H91 | sing | 1.09Å | 0.00Å | |
C9 | H92 | sing | 1.09Å | 0.00Å | |
C10 | O10 | sing | 1.43Å | 0.00Å | |
C10 | C11 | sing | 1.54Å | 0.00Å | |
C10 | H10 | sing | 1.10Å | 0.00Å | |
O10 | HO10 | sing | 0.97Å | 0.00Å | |
C11 | O11 | sing | 1.43Å | 0.00Å | |
C11 | C12 | sing | 1.55Å | 0.00Å | |
C11 | H11 | sing | 1.10Å | 0.00Å | |
O11 | HO11 | sing | 0.97Å | 0.00Å | |
C12 | O12 | sing | 1.43Å | 0.00Å | |
C12 | C13 | sing | 1.54Å | 0.00Å | |
C12 | H12 | sing | 1.10Å | 0.00Å | |
O12 | HO12 | sing | 0.97Å | 0.00Å | |
C13 | O13 | sing | 1.43Å | 0.00Å | |
C13 | C14 | sing | 1.53Å | 0.00Å | |
C13 | H13 | sing | 1.10Å | 0.00Å | |
O13 | HO13 | sing | 0.97Å | 0.00Å | |
C14 | O14 | sing | 1.42Å | 0.00Å | |
C14 | H141 | sing | 1.10Å | 0.00Å | |
C14 | H142 | sing | 1.10Å | 0.00Å | |
O14 | HO14 | sing | 0.97Å | 0.00Å | |
C15 | H151 | sing | 1.09Å | 0.00Å | |
C15 | H152 | sing | 1.09Å | 0.00Å | |
C15 | H153 | sing | 1.09Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | H11A | 109.5° | 110.2° |
C2 | C1 | H12A | 109.5° | 111.0° |
C2 | C1 | H13A | 109.5° | 111.0° |
C1 | C2 | C3 | 114.4° | 111.5° |
C1 | C2 | H21 | 107.9° | 109.2° |
C1 | C2 | H22 | 106.7° | 109.1° |
H11A | C1 | H12A | 109.4° | 108.0° |
H11A | C1 | H13A | 109.5° | 108.1° |
H12A | C1 | H13A | 109.5° | 108.3° |
C3 | C2 | H21 | 107.9° | 109.9° |
C3 | C2 | H22 | 106.8° | 109.9° |
C2 | C3 | C4 | 113.3° | 111.3° |
C2 | C3 | H31 | 108.2° | 109.6° |
C2 | C3 | H32 | 107.3° | 109.5° |
H21 | C2 | H22 | 113.4° | 107.2° |
C4 | C3 | H31 | 108.2° | 109.6° |
C4 | C3 | H32 | 107.3° | 109.6° |
C3 | C4 | C5 | 112.1° | 111.2° |
C3 | C4 | H41 | 108.6° | 109.5° |
C3 | C4 | H42 | 108.0° | 109.0° |
H31 | C3 | H32 | 112.5° | 107.2° |
C5 | C4 | H41 | 108.6° | 109.6° |
C5 | C4 | H42 | 108.0° | 110.0° |
C4 | C5 | C6 | 115.9° | 113.4° |
C4 | C5 | H51 | 107.4° | 109.7° |
C4 | C5 | H52 | 105.9° | 109.0° |
H41 | C4 | H42 | 111.6° | 107.3° |
C6 | C5 | H51 | 107.4° | 109.6° |
C6 | C5 | H52 | 105.9° | 108.2° |
C5 | C6 | C7 | 108.0° | 113.4° |
C5 | C6 | H61 | 110.0° | 109.7° |
C5 | C6 | H62 | 110.3° | 108.1° |
H51 | C5 | H52 | 114.6° | 106.7° |
C7 | C6 | H61 | 110.0° | 109.8° |
C7 | C6 | H62 | 110.3° | 109.2° |
C6 | C7 | C8 | 113.0° | 112.6° |
C6 | C7 | H71 | 108.3° | 109.1° |
C6 | C7 | H72 | 107.5° | 109.7° |
H61 | C6 | H62 | 108.3° | 106.3° |
C8 | C7 | H71 | 108.3° | 108.4° |
C8 | C7 | H72 | 107.5° | 107.8° |
C7 | C8 | O8 | 47.3° | 120.4° |
C7 | C8 | N | 47.3° | 116.2° |
H71 | C7 | H72 | 112.3° | 109.2° |
O8 | C8 | N | 0.0° | 123.4° |
C8 | N | C9 | 90.0° | 122.4° |
C8 | N | C15 | 90.0° | 122.4° |
C9 | N | C15 | 90.0° | 115.2° |
N | C9 | C10 | 90.0° | 109.8° |
N | C9 | H91 | 90.0° | 108.2° |
N | C9 | H92 | 90.0° | 108.6° |
N | C15 | H151 | 90.0° | 110.1° |
N | C15 | H152 | 90.0° | 110.2° |
N | C15 | H153 | 90.0° | 110.3° |
C10 | C9 | H91 | 90.0° | 111.4° |
C10 | C9 | H92 | 90.0° | 110.5° |
C9 | C10 | O10 | 90.0° | 108.5° |
C9 | C10 | C11 | 90.0° | 112.0° |
C9 | C10 | H10 | 90.0° | 109.5° |
H91 | C9 | H92 | 90.0° | 108.2° |
O10 | C10 | C11 | 90.0° | 109.3° |
O10 | C10 | H10 | 90.0° | 108.1° |
C10 | O10 | HO10 | 90.0° | 106.5° |
C11 | C10 | H10 | 90.0° | 109.3° |
C10 | C11 | O11 | 90.0° | 109.0° |
C10 | C11 | C12 | 90.0° | 113.5° |
C10 | C11 | H11 | 90.0° | 108.2° |
O11 | C11 | C12 | 90.0° | 109.1° |
O11 | C11 | H11 | 90.0° | 108.1° |
C11 | O11 | HO11 | 90.0° | 106.4° |
C12 | C11 | H11 | 90.0° | 108.8° |
C11 | C12 | O12 | 90.0° | 110.1° |
C11 | C12 | C13 | 90.0° | 113.1° |
C11 | C12 | H12 | 90.0° | 109.3° |
O12 | C12 | C13 | 90.0° | 108.3° |
O12 | C12 | H12 | 90.0° | 107.7° |
C12 | O12 | HO12 | 90.0° | 106.5° |
C13 | C12 | H12 | 90.0° | 108.1° |
C12 | C13 | O13 | 90.0° | 109.2° |
C12 | C13 | C14 | 90.0° | 113.5° |
C12 | C13 | H13 | 90.0° | 108.7° |
O13 | C13 | C14 | 90.0° | 108.5° |
O13 | C13 | H13 | 90.0° | 107.9° |
C13 | O13 | HO13 | 90.0° | 106.5° |
C14 | C13 | H13 | 90.0° | 108.8° |
C13 | C14 | O14 | 90.0° | 110.2° |
C13 | C14 | H141 | 90.0° | 111.5° |
C13 | C14 | H142 | 90.0° | 110.1° |
O14 | C14 | H141 | 90.0° | 109.3° |
O14 | C14 | H142 | 90.0° | 108.7° |
C14 | O14 | HO14 | 90.0° | 106.9° |
H141 | C14 | H142 | 90.0° | 107.0° |
H151 | C15 | H152 | 90.0° | 108.8° |
H151 | C15 | H153 | 90.0° | 108.8° |
H152 | C15 | H153 | 90.0° | 108.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | H11A | H12A | 120.0° | 121.5° |
C2 | C1 | H11A | H13A | 120.0° | 121.5° |
C2 | C1 | H12A | H13A | 120.0° | 122.1° |
C1 | C2 | C3 | H21 | 120.0° | 121.2° |
C1 | C2 | C3 | H22 | 117.8° | 121.1° |
C1 | C2 | H21 | H22 | 118.0° | 118.1° |
C1 | C2 | C3 | C4 | 166.9° | 178.7° |
C1 | C2 | C3 | H31 | 73.1° | 60.0° |
C1 | C2 | C3 | H32 | 48.6° | 57.3° |
H11A | C1 | H12A | H13A | 120.0° | 116.9° |
H11A | C1 | C2 | C3 | 133.6° | 179.7° |
H11A | C1 | C2 | H21 | 106.4° | 58.1° |
H11A | C1 | C2 | H22 | 15.7° | 58.8° |
H12A | C1 | C2 | C3 | 106.5° | 60.0° |
H12A | C1 | C2 | H21 | 13.5° | 61.6° |
H12A | C1 | C2 | H22 | 135.7° | 178.5° |
H13A | C1 | C2 | C3 | 13.6° | 60.6° |
H13A | C1 | C2 | H21 | 133.6° | 177.9° |
H13A | C1 | C2 | H22 | 104.3° | 61.0° |
C3 | C2 | H21 | H22 | 118.0° | 119.4° |
C2 | C3 | C4 | H31 | 120.0° | 121.3° |
C2 | C3 | C4 | H32 | 118.3° | 121.3° |
C2 | C3 | H31 | H32 | 118.4° | 118.8° |
C2 | C3 | C4 | C5 | 167.0° | 178.7° |
C2 | C3 | C4 | H41 | 47.0° | 60.0° |
C2 | C3 | C4 | H42 | 74.2° | 57.2° |
H21 | C2 | C3 | C4 | 46.9° | 57.5° |
H21 | C2 | C3 | H31 | 166.9° | 178.8° |
H21 | C2 | C3 | H32 | 71.4° | 63.8° |
H22 | C2 | C3 | C4 | 75.3° | 60.2° |
H22 | C2 | C3 | H31 | 44.7° | 61.1° |
H22 | C2 | C3 | H32 | 166.4° | 178.4° |
C4 | C3 | H31 | H32 | 118.4° | 118.8° |
C3 | C4 | C5 | H41 | 120.0° | 121.3° |
C3 | C4 | C5 | H42 | 118.9° | 120.9° |
C3 | C4 | H41 | H42 | 118.9° | 118.2° |
C3 | C4 | C5 | C6 | 169.6° | 178.7° |
C3 | C4 | C5 | H51 | 49.6° | 55.8° |
C3 | C4 | C5 | H52 | 73.3° | 60.7° |
H31 | C3 | C4 | C5 | 73.0° | 60.0° |
H31 | C3 | C4 | H41 | 167.0° | 61.4° |
H31 | C3 | C4 | H42 | 45.8° | 178.6° |
H32 | C3 | C4 | C5 | 48.6° | 57.4° |
H32 | C3 | C4 | H41 | 71.4° | 178.7° |
H32 | C3 | C4 | H42 | 167.5° | 64.1° |
C5 | C4 | H41 | H42 | 118.9° | 119.5° |
C4 | C5 | C6 | H51 | 120.0° | 123.0° |
C4 | C5 | C6 | H52 | 117.1° | 121.1° |
C4 | C5 | H51 | H52 | 117.4° | 118.0° |
C4 | C5 | C6 | C7 | 165.9° | 177.0° |
C4 | C5 | C6 | H61 | 74.1° | 59.8° |
C4 | C5 | C6 | H62 | 45.3° | 55.7° |
H41 | C4 | C5 | C6 | 70.4° | 60.0° |
H41 | C4 | C5 | H51 | 169.6° | 177.1° |
H41 | C4 | C5 | H52 | 46.7° | 60.5° |
H42 | C4 | C5 | C6 | 50.7° | 57.8° |
H42 | C4 | C5 | H51 | 69.3° | 65.1° |
H42 | C4 | C5 | H52 | 167.9° | 178.4° |
C6 | C5 | H51 | H52 | 117.4° | 116.9° |
C5 | C6 | C7 | H61 | 120.0° | 123.1° |
C5 | C6 | C7 | H62 | 120.6° | 120.7° |
C5 | C6 | H61 | H62 | 120.6° | 116.7° |
C5 | C6 | C7 | C8 | 167.8° | 176.9° |
C5 | C6 | C7 | H71 | 72.2° | 56.5° |
C5 | C6 | C7 | H72 | 49.3° | 63.0° |
H51 | C5 | C6 | C7 | 45.9° | 60.0° |
H51 | C5 | C6 | H61 | 165.9° | 63.2° |
H51 | C5 | C6 | H62 | 74.7° | 178.7° |
H52 | C5 | C6 | C7 | 77.0° | 55.9° |
H52 | C5 | C6 | H61 | 43.0° | 179.1° |
H52 | C5 | C6 | H62 | 162.4° | 65.3° |
C7 | C6 | H61 | H62 | 120.6° | 118.0° |
C6 | C7 | C8 | H71 | 120.0° | 120.8° |
C6 | C7 | C8 | H72 | 118.5° | 121.1° |
C6 | C7 | H71 | H72 | 118.6° | 119.8° |
C6 | C7 | C8 | O8 | 149.1° | 0.1° |
C6 | C7 | C8 | N | 149.1° | 180.0° |
H61 | C6 | C7 | C8 | 47.8° | 60.0° |
H61 | C6 | C7 | H71 | 167.8° | 179.6° |
H61 | C6 | C7 | H72 | 70.7° | 60.1° |
H62 | C6 | C7 | C8 | 71.7° | 56.2° |
H62 | C6 | C7 | H71 | 48.3° | 64.2° |
H62 | C6 | C7 | H72 | 169.9° | 176.3° |
C8 | C7 | H71 | H72 | 118.5° | 117.2° |
C7 | C8 | O8 | N | 90.0° | 179.9° |
C7 | C8 | N | C9 | 90.0° | 179.8° |
C7 | C8 | N | C15 | 90.0° | 0.1° |
H71 | C7 | C8 | O8 | 90.9° | 120.9° |
H71 | C7 | C8 | N | 90.9° | 59.2° |
H72 | C7 | C8 | O8 | 30.6° | 121.0° |
H72 | C7 | C8 | N | 30.6° | 58.9° |
O8 | C8 | N | C9 | 90.0° | 0.0° |
O8 | C8 | N | C15 | 90.0° | 180.0° |
C8 | N | C9 | C15 | 90.0° | 179.9° |
C8 | N | C9 | C10 | 90.0° | 120.0° |
C8 | N | C9 | H91 | 90.0° | 118.2° |
C8 | N | C9 | H92 | 90.0° | 0.9° |
C8 | N | C15 | H151 | 90.0° | 28.2° |
C8 | N | C15 | H152 | 90.0° | 91.8° |
C8 | N | C15 | H153 | 90.0° | 148.2° |
N | C9 | C10 | H91 | 90.0° | 119.8° |
N | C9 | C10 | H92 | 90.0° | 119.8° |
N | C9 | H91 | H92 | 90.0° | 117.5° |
N | C9 | C10 | O10 | 90.0° | 59.5° |
N | C9 | C10 | C11 | 90.0° | 179.8° |
N | C9 | C10 | H10 | 90.0° | 58.3° |
C9 | N | C15 | H151 | 90.0° | 151.8° |
C9 | N | C15 | H152 | 90.0° | 88.2° |
C9 | N | C15 | H153 | 90.0° | 31.7° |
C15 | N | C9 | C10 | 90.0° | 60.0° |
C15 | N | C9 | H91 | 90.0° | 61.7° |
C15 | N | C9 | H92 | 90.0° | 179.0° |
N | C15 | H151 | H152 | 90.0° | 120.9° |
N | C15 | H151 | H153 | 90.0° | 120.9° |
N | C15 | H152 | H153 | 90.0° | 120.9° |
C10 | C9 | H91 | H92 | 90.0° | 121.7° |
C9 | C10 | O10 | C11 | 90.0° | 122.4° |
C9 | C10 | O10 | H10 | 90.0° | 118.7° |
C9 | C10 | C11 | H10 | 90.0° | 121.6° |
C9 | C10 | O10 | HO10 | 90.0° | 27.1° |
C9 | C10 | C11 | O11 | 90.0° | 57.3° |
C9 | C10 | C11 | C12 | 90.0° | 179.2° |
C9 | C10 | C11 | H11 | 90.0° | 60.0° |
H91 | C9 | C10 | O10 | 90.0° | 179.3° |
H91 | C9 | C10 | C11 | 90.0° | 60.0° |
H91 | C9 | C10 | H10 | 90.0° | 61.5° |
H92 | C9 | C10 | O10 | 90.0° | 60.3° |
H92 | C9 | C10 | C11 | 90.0° | 60.4° |
H92 | C9 | C10 | H10 | 90.0° | 178.1° |
O10 | C10 | C11 | H10 | 90.0° | 118.1° |
O10 | C10 | C11 | O11 | 90.0° | 177.6° |
O10 | C10 | C11 | C12 | 90.0° | 60.6° |
O10 | C10 | C11 | H11 | 90.0° | 60.3° |
C11 | C10 | O10 | HO10 | 90.0° | 95.3° |
C10 | C11 | O11 | C12 | 90.0° | 124.5° |
C10 | C11 | O11 | H11 | 90.0° | 117.4° |
C10 | C11 | C12 | H11 | 90.0° | 120.5° |
C10 | C11 | O11 | HO11 | 90.0° | 136.3° |
C10 | C11 | C12 | O12 | 90.0° | 58.2° |
C10 | C11 | C12 | C13 | 90.0° | 179.5° |
C10 | C11 | C12 | H12 | 90.0° | 60.0° |
H10 | C10 | O10 | HO10 | 90.0° | 145.8° |
H10 | C10 | C11 | O11 | 90.0° | 64.3° |
H10 | C10 | C11 | C12 | 90.0° | 57.6° |
H10 | C10 | C11 | H11 | 90.0° | 178.4° |
O11 | C11 | C12 | H11 | 90.0° | 117.7° |
O11 | C11 | C12 | O12 | 90.0° | 180.0° |
O11 | C11 | C12 | C13 | 90.0° | 58.7° |
O11 | C11 | C12 | H12 | 90.0° | 61.8° |
C12 | C11 | O11 | HO11 | 90.0° | 11.8° |
C11 | C12 | O12 | C13 | 90.0° | 124.1° |
C11 | C12 | O12 | H12 | 90.0° | 119.1° |
C11 | C12 | C13 | H12 | 90.0° | 121.2° |
C11 | C12 | O12 | HO12 | 90.0° | 30.6° |
C11 | C12 | C13 | O13 | 90.0° | 180.0° |
C11 | C12 | C13 | C14 | 90.0° | 58.8° |
C11 | C12 | C13 | H13 | 90.0° | 62.4° |
H11 | C11 | O11 | HO11 | 90.0° | 106.4° |
H11 | C11 | C12 | O12 | 90.0° | 62.3° |
H11 | C11 | C12 | C13 | 90.0° | 59.0° |
H11 | C11 | C12 | H12 | 90.0° | 179.5° |
O12 | C12 | C13 | H12 | 90.0° | 116.5° |
O12 | C12 | C13 | O13 | 90.0° | 57.8° |
O12 | C12 | C13 | C14 | 90.0° | 63.5° |
O12 | C12 | C13 | H13 | 90.0° | 175.3° |
C13 | C12 | O12 | HO12 | 90.0° | 93.5° |
C12 | C13 | O13 | C14 | 90.0° | 124.2° |
C12 | C13 | O13 | H13 | 90.0° | 118.0° |
C12 | C13 | C14 | H13 | 90.0° | 121.2° |
C12 | C13 | O13 | HO13 | 90.0° | 44.2° |
C12 | C13 | C14 | O14 | 90.0° | 178.4° |
C12 | C13 | C14 | H141 | 90.0° | 60.0° |
C12 | C13 | C14 | H142 | 90.0° | 58.5° |
H12 | C12 | O12 | HO12 | 90.0° | 149.7° |
H12 | C12 | C13 | O13 | 90.0° | 58.8° |
H12 | C12 | C13 | C14 | 90.0° | 180.0° |
H12 | C12 | C13 | H13 | 90.0° | 58.8° |
O13 | C13 | C14 | H13 | 90.0° | 117.2° |
O13 | C13 | C14 | O14 | 90.0° | 60.0° |
O13 | C13 | C14 | H141 | 90.0° | 61.6° |
O13 | C13 | C14 | H142 | 90.0° | 179.9° |
C14 | C13 | O13 | HO13 | 90.0° | 168.4° |
C13 | C14 | O14 | H141 | 90.0° | 122.8° |
C13 | C14 | O14 | H142 | 90.0° | 120.8° |
C13 | C14 | H141 | H142 | 90.0° | 120.5° |
C13 | C14 | O14 | HO14 | 90.0° | 41.2° |
H13 | C13 | O13 | HO13 | 90.0° | 73.8° |
H13 | C13 | C14 | O14 | 90.0° | 57.3° |
H13 | C13 | C14 | H141 | 90.0° | 178.8° |
H13 | C13 | C14 | H142 | 90.0° | 62.6° |
O14 | C14 | H141 | H142 | 90.0° | 117.5° |
H141 | C14 | O14 | HO14 | 90.0° | 164.0° |
H142 | C14 | O14 | HO14 | 90.0° | 79.6° |
H151 | C15 | H152 | H153 | 90.0° | 118.3° |