RN2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | C02 | sing | 1.53Å | 1.53Å | |
C02 | C03 | sing | 1.53Å | 1.54Å | |
C04 | C03 | sing | 1.53Å | 1.52Å | |
C04 | C05 | sing | 1.53Å | 1.58Å | |
C25 | O26 | sing | 1.43Å | 1.33Å | |
C25 | C05 | sing | 1.53Å | 1.45Å | |
C05 | N06 | sing | 1.47Å | 1.42Å | |
N06 | C07 | sing | 1.35Å | 1.49Å | |
O16 | C15 | doub | 1.22Å | 1.18Å | |
C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
C07 | C09 | sing | 1.51Å | 1.55Å | |
C07 | O08 | doub | 1.21Å | 1.19Å | |
C15 | O17 | sing | 1.35Å | 1.41Å | |
C15 | N14 | sing | 1.35Å | 1.47Å | |
C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
C09 | N14 | sing | 1.47Å | 1.44Å | |
C09 | C10 | sing | 1.53Å | 1.51Å | |
C12 | C11 | sing | 1.53Å | 1.53Å | |
C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
O17 | C18 | sing | 1.45Å | 1.37Å | |
C19 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
C19 | C18 | sing | 1.51Å | 1.54Å | |
C10 | C11 | sing | 1.53Å | 1.51Å | |
C11 | C13 | sing | 1.53Å | 1.53Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C13 | H133 | sing | 1.09Å | 1.10Å | |
C13 | H131 | sing | 1.09Å | 1.10Å | |
C13 | H132 | sing | 1.09Å | 1.10Å | |
C20 | H201 | sing | 1.08Å | 1.08Å | |
C21 | H211 | sing | 1.08Å | 1.08Å | |
C22 | H221 | sing | 1.08Å | 1.08Å | |
C24 | H241 | sing | 1.08Å | 1.08Å | |
C01 | H013 | sing | 1.09Å | 1.10Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
C01 | H012 | sing | 1.09Å | 1.10Å | |
C02 | H022 | sing | 1.09Å | 1.10Å | |
C02 | H021 | sing | 1.09Å | 1.10Å | |
C03 | H032 | sing | 1.09Å | 1.10Å | |
C03 | H031 | sing | 1.09Å | 1.10Å | |
C04 | H041 | sing | 1.09Å | 1.10Å | |
C04 | H042 | sing | 1.09Å | 1.10Å | |
C05 | H051 | sing | 1.09Å | 1.10Å | |
C09 | H091 | sing | 1.09Å | 1.10Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C12 | H121 | sing | 1.09Å | 1.10Å | |
C12 | H123 | sing | 1.09Å | 1.10Å | |
C12 | H122 | sing | 1.09Å | 1.10Å | |
C18 | H181 | sing | 1.09Å | 1.10Å | |
C18 | H182 | sing | 1.09Å | 1.10Å | |
C23 | H231 | sing | 1.08Å | 1.08Å | |
C25 | H252 | sing | 1.09Å | 1.10Å | |
C25 | H1 | sing | 1.09Å | 1.10Å | |
N06 | H061 | sing | 0.97Å | 1.00Å | |
N14 | H141 | sing | 0.97Å | 1.00Å | |
O26 | H261 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | C02 | C03 | 111.9° | 109.5° |
C02 | C01 | H013 | 109.5° | 109.5° |
C02 | C01 | H011 | 109.5° | 109.5° |
C02 | C01 | H012 | 109.5° | 109.4° |
C01 | C02 | H022 | 108.9° | 109.5° |
C01 | C02 | H021 | 108.9° | 109.5° |
C02 | C03 | C04 | 105.7° | 109.5° |
C03 | C02 | H022 | 108.9° | 109.4° |
C03 | C02 | H021 | 108.9° | 109.4° |
C02 | C03 | H032 | 110.4° | 109.5° |
C02 | C03 | H031 | 110.4° | 109.5° |
C03 | C04 | C05 | 117.3° | 109.5° |
C04 | C03 | H032 | 110.4° | 109.5° |
C04 | C03 | H031 | 110.4° | 109.5° |
C03 | C04 | H041 | 107.5° | 109.5° |
C03 | C04 | H042 | 107.5° | 109.5° |
C04 | C05 | C25 | 103.6° | 109.5° |
C04 | C05 | N06 | 107.1° | 109.5° |
C05 | C04 | H041 | 107.5° | 109.5° |
C05 | C04 | H042 | 107.5° | 109.5° |
C04 | C05 | H051 | 107.7° | 109.5° |
O26 | C25 | C05 | 123.2° | 109.5° |
O26 | C25 | H252 | 105.9° | 109.5° |
O26 | C25 | H1 | 105.9° | 109.5° |
C25 | O26 | H261 | 109.5° | 114.0° |
C25 | C05 | N06 | 118.6° | 109.4° |
C25 | C05 | H051 | 109.4° | 109.5° |
C05 | C25 | H252 | 106.0° | 109.5° |
C05 | C25 | H1 | 105.9° | 109.4° |
C05 | N06 | C07 | 119.4° | 120.0° |
N06 | C05 | H051 | 109.9° | 109.5° |
C05 | N06 | H061 | 120.3° | 120.0° |
N06 | C07 | C09 | 122.3° | 120.0° |
N06 | C07 | O08 | 118.4° | 120.0° |
C07 | N06 | H061 | 120.3° | 120.0° |
O16 | C15 | O17 | 117.5° | 120.0° |
O16 | C15 | N14 | 120.1° | 120.0° |
C22 | C21 | C20 | 120.5° | 120.0° |
C21 | C22 | C23 | 119.8° | 120.0° |
C22 | C21 | H211 | 119.7° | 119.9° |
C21 | C22 | H221 | 120.1° | 120.0° |
C21 | C20 | C19 | 119.6° | 120.0° |
C21 | C20 | H201 | 120.2° | 120.0° |
C20 | C21 | H211 | 119.7° | 120.1° |
C22 | C23 | C24 | 120.1° | 120.1° |
C23 | C22 | H221 | 120.1° | 120.0° |
C22 | C23 | H231 | 120.0° | 120.0° |
C09 | C07 | O08 | 119.3° | 120.0° |
C07 | C09 | N14 | 108.3° | 109.5° |
C07 | C09 | C10 | 110.9° | 109.4° |
C07 | C09 | H091 | 108.9° | 109.5° |
O17 | C15 | N14 | 122.4° | 120.0° |
C15 | O17 | C18 | 113.6° | 117.0° |
C15 | N14 | C09 | 120.3° | 120.0° |
C15 | N14 | H141 | 119.8° | 120.0° |
C20 | C19 | C24 | 119.7° | 120.0° |
C20 | C19 | C18 | 120.8° | 120.0° |
C19 | C20 | H201 | 120.2° | 120.0° |
N14 | C09 | C10 | 109.1° | 109.5° |
N14 | C09 | H091 | 110.3° | 109.5° |
C09 | N14 | H141 | 119.9° | 120.0° |
C09 | C10 | C11 | 111.0° | 109.5° |
C09 | C10 | H102 | 109.1° | 109.5° |
C09 | C10 | H101 | 109.1° | 109.5° |
C10 | C09 | H091 | 109.4° | 109.5° |
C12 | C11 | C10 | 109.6° | 109.5° |
C12 | C11 | C13 | 108.3° | 109.5° |
C12 | C11 | H111 | 109.8° | 109.5° |
C11 | C12 | H121 | 109.5° | 109.4° |
C11 | C12 | H123 | 109.4° | 109.5° |
C11 | C12 | H122 | 109.5° | 109.5° |
C23 | C24 | C19 | 120.3° | 119.9° |
C23 | C24 | H241 | 119.9° | 120.0° |
C24 | C23 | H231 | 119.9° | 120.0° |
O17 | C18 | C19 | 113.4° | 109.5° |
O17 | C18 | H181 | 108.5° | 109.5° |
O17 | C18 | H182 | 108.5° | 109.5° |
C24 | C19 | C18 | 119.6° | 120.0° |
C19 | C24 | H241 | 119.8° | 120.0° |
C19 | C18 | H181 | 108.4° | 109.4° |
C19 | C18 | H182 | 108.5° | 109.5° |
C10 | C11 | C13 | 109.3° | 109.5° |
C11 | C10 | H102 | 109.1° | 109.5° |
C11 | C10 | H101 | 109.1° | 109.4° |
C10 | C11 | H111 | 110.1° | 109.4° |
C11 | C13 | H133 | 109.5° | 109.5° |
C11 | C13 | H131 | 109.5° | 109.4° |
C11 | C13 | H132 | 109.5° | 109.5° |
C13 | C11 | H111 | 109.8° | 109.5° |
H102 | C10 | H101 | 109.5° | 109.4° |
H133 | C13 | H131 | 109.4° | 109.5° |
H133 | C13 | H132 | 109.4° | 109.5° |
H131 | C13 | H132 | 109.5° | 109.5° |
H013 | C01 | H011 | 109.5° | 109.5° |
H013 | C01 | H012 | 109.5° | 109.5° |
H011 | C01 | H012 | 109.5° | 109.4° |
H022 | C02 | H021 | 109.5° | 109.5° |
H032 | C03 | H031 | 109.5° | 109.5° |
H041 | C04 | H042 | 109.5° | 109.5° |
H121 | C12 | H123 | 109.5° | 109.5° |
H121 | C12 | H122 | 109.5° | 109.5° |
H123 | C12 | H122 | 109.5° | 109.5° |
H181 | C18 | H182 | 109.5° | 109.4° |
H252 | C25 | H1 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | C02 | C03 | H022 | 120.4° | 120.1° |
C01 | C02 | C03 | H021 | 120.3° | 120.0° |
C01 | C02 | C03 | C04 | 134.2° | 180.0° |
C02 | C01 | H013 | H011 | 120.0° | 120.0° |
C02 | C01 | H013 | H012 | 120.0° | 120.0° |
C02 | C01 | H011 | H012 | 120.0° | 119.9° |
C01 | C02 | H022 | H021 | 118.9° | 120.0° |
C01 | C02 | C03 | H032 | 14.8° | 60.0° |
C01 | C02 | C03 | H031 | 106.4° | 60.0° |
C02 | C03 | C04 | H032 | 119.4° | 120.0° |
C02 | C03 | C04 | H031 | 119.4° | 120.0° |
C02 | C03 | C04 | C05 | 144.9° | 180.0° |
C03 | C02 | C01 | H013 | 180.0° | 60.0° |
C03 | C02 | C01 | H011 | 60.0° | 180.0° |
C03 | C02 | C01 | H012 | 60.0° | 60.0° |
C03 | C02 | H022 | H021 | 118.9° | 119.9° |
C02 | C03 | H032 | H031 | 121.7° | 120.0° |
C02 | C03 | C04 | H041 | 23.7° | 60.0° |
C02 | C03 | C04 | H042 | 94.0° | 60.0° |
C03 | C04 | C05 | H041 | 121.1° | 120.0° |
C03 | C04 | C05 | H042 | 121.1° | 120.0° |
C03 | C04 | C05 | C25 | 162.8° | 175.0° |
C03 | C04 | C05 | N06 | 71.1° | 65.0° |
C04 | C03 | C02 | H022 | 105.4° | 60.0° |
C04 | C03 | C02 | H021 | 13.9° | 60.0° |
C04 | C03 | H032 | H031 | 121.8° | 120.0° |
C03 | C04 | H041 | H042 | 116.4° | 120.0° |
C03 | C04 | C05 | H051 | 47.0° | 55.0° |
C04 | C05 | C25 | O26 | 139.1° | 54.9° |
C04 | C05 | C25 | N06 | 118.4° | 120.0° |
C04 | C05 | C25 | H051 | 114.6° | 120.0° |
C04 | C05 | N06 | H051 | 116.7° | 120.0° |
C04 | C05 | N06 | C07 | 97.5° | 155.0° |
C05 | C04 | C03 | H032 | 95.7° | 60.0° |
C05 | C04 | C03 | H031 | 25.5° | 60.0° |
C05 | C04 | H041 | H042 | 116.4° | 120.0° |
C04 | C05 | C25 | H252 | 99.0° | 175.0° |
C04 | C05 | C25 | H1 | 17.2° | 65.1° |
C04 | C05 | N06 | H061 | 82.5° | 25.0° |
O26 | C25 | C05 | H252 | 121.9° | 120.1° |
O26 | C25 | C05 | H1 | 121.9° | 120.0° |
O26 | C25 | C05 | N06 | 102.4° | 65.0° |
O26 | C25 | C05 | H051 | 24.6° | 175.0° |
O26 | C25 | H252 | H1 | 113.8° | 120.0° |
C25 | C05 | N06 | H051 | 126.8° | 120.0° |
C25 | C05 | N06 | C07 | 146.0° | 85.0° |
C25 | C05 | C04 | H041 | 41.7° | 55.0° |
C25 | C05 | C04 | H042 | 76.1° | 65.0° |
C05 | C25 | H252 | H1 | 113.8° | 119.9° |
C25 | C05 | N06 | H061 | 34.0° | 95.0° |
C05 | C25 | O26 | H261 | 180.0° | 180.0° |
C05 | N06 | C07 | H061 | 180.0° | 180.0° |
C05 | N06 | C07 | C09 | 179.6° | 180.0° |
C05 | N06 | C07 | O08 | 1.4° | 0.0° |
N06 | C05 | C04 | H041 | 167.8° | 175.0° |
N06 | C05 | C04 | H042 | 50.0° | 55.0° |
N06 | C05 | C25 | H252 | 19.5° | 55.1° |
N06 | C05 | C25 | H1 | 135.7° | 175.0° |
N06 | C07 | C09 | O08 | 179.1° | 179.9° |
N06 | C07 | C09 | N14 | 138.5° | 180.0° |
N06 | C07 | C09 | C10 | 101.9° | 60.0° |
C07 | N06 | C05 | H051 | 19.2° | 35.0° |
N06 | C07 | C09 | H091 | 18.5° | 60.0° |
O16 | C15 | O17 | N14 | 179.0° | 180.0° |
O16 | C15 | N14 | C09 | 1.5° | 0.0° |
O16 | C15 | O17 | C18 | 93.9° | 0.0° |
O16 | C15 | N14 | H141 | 178.5° | 180.0° |
C22 | C21 | C20 | H211 | 180.0° | 180.0° |
C21 | C22 | C23 | H221 | 180.0° | 180.0° |
C22 | C21 | C20 | C19 | 0.3° | 0.0° |
C21 | C22 | C23 | C24 | 0.1° | 0.3° |
C22 | C21 | C20 | H201 | 179.7° | 179.8° |
C21 | C22 | C23 | H231 | 179.9° | 180.0° |
C20 | C21 | C22 | C23 | 0.0° | 0.0° |
C21 | C20 | C19 | H201 | 180.0° | 179.8° |
C21 | C20 | C19 | C24 | 0.3° | 0.2° |
C21 | C20 | C19 | C18 | 179.5° | 179.7° |
C20 | C21 | C22 | H221 | 180.0° | 180.0° |
C22 | C23 | C24 | H231 | 180.0° | 179.7° |
C22 | C23 | C24 | C19 | 0.1° | 0.6° |
C23 | C22 | C21 | H211 | 180.0° | 180.0° |
C22 | C23 | C24 | H241 | 179.9° | 180.0° |
C07 | C09 | N14 | C15 | 50.6° | 155.0° |
C07 | C09 | N14 | C10 | 120.8° | 120.0° |
C07 | C09 | N14 | H091 | 119.1° | 120.0° |
C07 | C09 | C10 | H091 | 120.1° | 120.0° |
C07 | C09 | C10 | C11 | 170.3° | 175.0° |
C07 | C09 | C10 | H102 | 69.5° | 65.0° |
C07 | C09 | C10 | H101 | 50.0° | 55.0° |
C09 | C07 | N06 | H061 | 0.4° | 0.0° |
C07 | C09 | N14 | H141 | 129.4° | 24.9° |
O08 | C07 | C09 | N14 | 40.6° | 0.1° |
O08 | C07 | C09 | C10 | 79.1° | 120.0° |
O08 | C07 | C09 | H091 | 160.6° | 120.0° |
O08 | C07 | N06 | H061 | 178.7° | 180.0° |
O17 | C15 | N14 | C09 | 177.5° | 180.0° |
C15 | O17 | C18 | C19 | 75.1° | 180.0° |
C15 | O17 | C18 | H181 | 45.5° | 60.0° |
C15 | O17 | C18 | H182 | 164.3° | 60.0° |
O17 | C15 | N14 | H141 | 2.5° | 0.0° |
C15 | N14 | C09 | H141 | 180.0° | 179.9° |
C15 | N14 | C09 | C10 | 171.3° | 85.0° |
N14 | C15 | O17 | C18 | 87.1° | 180.0° |
C15 | N14 | C09 | H091 | 68.5° | 35.0° |
C20 | C19 | C24 | C23 | 0.1° | 0.6° |
C20 | C19 | C18 | O17 | 75.8° | 90.0° |
C20 | C19 | C24 | C18 | 179.2° | 180.0° |
C19 | C20 | C21 | H211 | 179.7° | 180.0° |
C20 | C19 | C24 | H241 | 179.9° | 179.9° |
C20 | C19 | C18 | H181 | 163.6° | 149.9° |
C20 | C19 | C18 | H182 | 44.8° | 30.0° |
N14 | C09 | C10 | H091 | 120.7° | 120.0° |
N14 | C09 | C10 | C11 | 70.5° | 65.0° |
N14 | C09 | C10 | H102 | 49.7° | 55.0° |
N14 | C09 | C10 | H101 | 169.2° | 175.0° |
C09 | C10 | C11 | C12 | 82.8° | 65.0° |
C09 | C10 | C11 | H102 | 120.2° | 120.1° |
C09 | C10 | C11 | H101 | 120.2° | 120.0° |
C09 | C10 | C11 | C13 | 158.7° | 175.0° |
C09 | C10 | H102 | H101 | 119.3° | 120.0° |
C09 | C10 | C11 | H111 | 38.0° | 55.0° |
C10 | C09 | N14 | H141 | 8.6° | 95.0° |
C12 | C11 | C10 | C13 | 118.5° | 120.0° |
C12 | C11 | C10 | H111 | 120.9° | 120.0° |
C12 | C11 | C13 | H111 | 119.8° | 120.0° |
C12 | C11 | C10 | H102 | 156.9° | 175.0° |
C12 | C11 | C10 | H101 | 37.4° | 55.0° |
C12 | C11 | C13 | H133 | 180.0° | 60.0° |
C12 | C11 | C13 | H131 | 60.0° | 60.0° |
C12 | C11 | C13 | H132 | 60.0° | 180.0° |
C11 | C12 | H121 | H123 | 120.0° | 120.0° |
C11 | C12 | H121 | H122 | 120.0° | 120.0° |
C11 | C12 | H123 | H122 | 120.0° | 120.0° |
C23 | C24 | C19 | H241 | 180.0° | 179.4° |
C23 | C24 | C19 | C18 | 179.4° | 179.4° |
C24 | C23 | C22 | H221 | 179.9° | 179.6° |
O17 | C18 | C19 | C24 | 104.9° | 90.0° |
O17 | C18 | C19 | H181 | 120.6° | 120.0° |
O17 | C18 | C19 | H182 | 120.6° | 120.1° |
O17 | C18 | H181 | H182 | 118.2° | 120.1° |
C24 | C19 | C20 | H201 | 179.7° | 180.0° |
C24 | C19 | C18 | H181 | 15.6° | 30.0° |
C24 | C19 | C18 | H182 | 134.5° | 150.0° |
C19 | C24 | C23 | H231 | 179.9° | 179.7° |
C18 | C19 | C20 | H201 | 0.5° | 0.0° |
C18 | C19 | C24 | H241 | 0.6° | 0.0° |
C19 | C18 | H181 | H182 | 118.2° | 119.9° |
C10 | C11 | C13 | H111 | 120.8° | 119.9° |
C11 | C10 | H102 | H101 | 119.3° | 119.9° |
C10 | C11 | C13 | H133 | 60.7° | 60.1° |
C10 | C11 | C13 | H131 | 59.3° | 179.9° |
C10 | C11 | C13 | H132 | 179.3° | 60.0° |
C11 | C10 | C09 | H091 | 50.2° | 55.0° |
C10 | C11 | C12 | H121 | 180.0° | 60.0° |
C10 | C11 | C12 | H123 | 60.0° | 180.0° |
C10 | C11 | C12 | H122 | 60.0° | 60.0° |
C13 | C11 | C10 | H102 | 38.4° | 54.9° |
C13 | C11 | C10 | H101 | 81.1° | 65.0° |
C11 | C13 | H133 | H131 | 120.0° | 119.9° |
C11 | C13 | H133 | H132 | 120.0° | 120.0° |
C11 | C13 | H131 | H132 | 120.0° | 120.0° |
C13 | C11 | C12 | H121 | 60.9° | 180.0° |
C13 | C11 | C12 | H123 | 59.1° | 60.0° |
C13 | C11 | C12 | H122 | 179.1° | 60.0° |
H102 | C10 | C09 | H091 | 170.4° | 175.0° |
H102 | C10 | C11 | H111 | 82.2° | 65.1° |
H101 | C10 | C09 | H091 | 70.0° | 65.0° |
H101 | C10 | C11 | H111 | 158.2° | 175.0° |
H133 | C13 | H131 | H132 | 119.9° | 120.1° |
H133 | C13 | C11 | H111 | 60.2° | 180.0° |
H131 | C13 | C11 | H111 | 179.9° | 60.0° |
H132 | C13 | C11 | H111 | 59.8° | 60.0° |
H201 | C20 | C21 | H211 | 0.3° | 0.2° |
H211 | C21 | C22 | H221 | 0.0° | 0.0° |
H221 | C22 | C23 | H231 | 0.1° | 0.0° |
H241 | C24 | C23 | H231 | 0.1° | 0.4° |
H013 | C01 | H011 | H012 | 120.0° | 120.0° |
H013 | C01 | C02 | H022 | 59.7° | 180.0° |
H013 | C01 | C02 | H021 | 59.6° | 60.0° |
H011 | C01 | C02 | H022 | 60.4° | 60.0° |
H011 | C01 | C02 | H021 | 179.7° | 60.1° |
H012 | C01 | C02 | H022 | 179.7° | 60.0° |
H012 | C01 | C02 | H021 | 60.4° | 180.0° |
H022 | C02 | C03 | H032 | 135.2° | 180.0° |
H022 | C02 | C03 | H031 | 14.0° | 60.0° |
H021 | C02 | C03 | H032 | 105.5° | 60.1° |
H021 | C02 | C03 | H031 | 133.3° | 179.9° |
H032 | C03 | C04 | H041 | 143.1° | NaN° |
H032 | C03 | C04 | H042 | 25.4° | 60.0° |
H031 | C03 | C04 | H041 | 95.7° | 60.0° |
H031 | C03 | C04 | H042 | 146.6° | 180.0° |
H041 | C04 | C05 | H051 | 74.1° | 65.0° |
H042 | C04 | C05 | H051 | 168.2° | 175.0° |
H051 | C05 | C25 | H252 | 146.4° | 64.9° |
H051 | C05 | C25 | H1 | 97.3° | 55.0° |
H051 | C05 | N06 | H061 | 160.8° | 145.0° |
H091 | C09 | N14 | H141 | 111.5° | 145.0° |
H111 | C11 | C12 | H121 | 59.0° | 60.0° |
H111 | C11 | C12 | H123 | 178.9° | 60.0° |
H111 | C11 | C12 | H122 | 61.1° | 180.0° |
H121 | C12 | H123 | H122 | 120.0° | 120.0° |
H252 | C25 | O26 | H261 | 58.1° | 59.9° |
H1 | C25 | O26 | H261 | 58.1° | 60.0° |