2BN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | N3 | sing | 1.49Å | 1.49Å | |
C2 | C7 | sing | 1.58Å | 1.57Å | |
C2 | C8 | sing | 1.57Å | 1.54Å | |
C2 | C11 | sing | 1.53Å | 1.50Å | |
N3 | C4 | sing | 1.49Å | 1.35Å | |
N3 | HN3 | sing | 1.01Å | 1.02Å | |
C4 | C5 | sing | 1.56Å | 1.55Å | |
C4 | HC41 | sing | 1.09Å | 1.12Å | |
C4 | HC42 | sing | 1.09Å | 1.11Å | |
C5 | C6 | sing | 1.56Å | 1.57Å | |
C5 | C8 | sing | 1.57Å | 1.54Å | |
C5 | HC5 | sing | 1.09Å | 1.12Å | |
C6 | C7 | sing | 1.55Å | 1.56Å | |
C6 | HC61 | sing | 1.09Å | 1.12Å | |
C6 | HC62 | sing | 1.09Å | 1.11Å | |
C7 | HC71 | sing | 1.09Å | 1.11Å | |
C7 | HC72 | sing | 1.09Å | 1.11Å | |
C8 | C9 | sing | 1.53Å | 1.54Å | |
C8 | C10 | sing | 1.53Å | 1.55Å | |
C9 | HC91 | sing | 1.09Å | 1.12Å | |
C9 | HC92 | sing | 1.09Å | 1.11Å | |
C9 | HC93 | sing | 1.09Å | 1.11Å | |
C10 | H101 | sing | 1.09Å | 1.12Å | |
C10 | H102 | sing | 1.09Å | 1.11Å | |
C10 | H103 | sing | 1.09Å | 1.12Å | |
C11 | H111 | sing | 1.09Å | 1.12Å | |
C11 | H112 | sing | 1.09Å | 1.11Å | |
C11 | H113 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N3 | C2 | C7 | 103.7° | 104.7° |
N3 | C2 | C8 | 104.3° | 101.9° |
N3 | C2 | C11 | 114.1° | 116.3° |
C2 | N3 | C4 | 108.3° | 106.1° |
C2 | N3 | HN3 | 112.6° | 106.7° |
C7 | C2 | C8 | 104.7° | 99.9° |
C7 | C2 | C11 | 112.1° | 115.8° |
C2 | C7 | C6 | 100.5° | 104.4° |
C2 | C7 | HC71 | 115.7° | 110.9° |
C2 | C7 | HC72 | 115.6° | 110.1° |
C8 | C2 | C11 | 116.7° | 116.0° |
C2 | C8 | C5 | 88.5° | 95.2° |
C2 | C8 | C9 | 116.6° | 112.2° |
C2 | C8 | C10 | 114.7° | 112.2° |
C2 | C11 | H111 | 114.1° | 109.4° |
C2 | C11 | H112 | 110.5° | 109.5° |
C2 | C11 | H113 | 110.5° | 109.5° |
C4 | N3 | HN3 | 112.7° | 107.5° |
N3 | C4 | C5 | 102.5° | 105.2° |
N3 | C4 | HC41 | 114.9° | 110.4° |
N3 | C4 | HC42 | 114.9° | 110.3° |
C5 | C4 | HC41 | 114.8° | 109.0° |
C5 | C4 | HC42 | 114.8° | 111.6° |
C4 | C5 | C6 | 103.7° | 104.8° |
C4 | C5 | C8 | 104.8° | 99.5° |
C4 | C5 | HC5 | 114.4° | 116.4° |
HC41 | C4 | HC42 | 95.6° | 110.3° |
C6 | C5 | C8 | 104.8° | 100.5° |
C6 | C5 | HC5 | 114.5° | 116.3° |
C5 | C6 | C7 | 101.1° | 104.1° |
C5 | C6 | HC61 | 115.4° | 110.5° |
C5 | C6 | HC62 | 115.4° | 110.5° |
C8 | C5 | HC5 | 113.5° | 116.7° |
C5 | C8 | C9 | 115.7° | 112.2° |
C5 | C8 | C10 | 115.3° | 112.2° |
C7 | C6 | HC61 | 115.4° | 110.5° |
C7 | C6 | HC62 | 115.5° | 110.5° |
C6 | C7 | HC71 | 115.6° | 110.4° |
C6 | C7 | HC72 | 115.6° | 110.4° |
HC61 | C6 | HC62 | 95.0° | 110.6° |
HC71 | C7 | HC72 | 94.9° | 110.5° |
C9 | C8 | C10 | 105.8° | 111.8° |
C8 | C9 | HC91 | 116.6° | 109.5° |
C8 | C9 | HC92 | 109.6° | 109.5° |
C8 | C9 | HC93 | 109.7° | 109.5° |
C8 | C10 | H101 | 114.7° | 109.5° |
C8 | C10 | H102 | 110.4° | 109.5° |
C8 | C10 | H103 | 110.3° | 109.5° |
HC91 | C9 | HC92 | 109.6° | 109.4° |
HC91 | C9 | HC93 | 109.6° | 109.5° |
HC92 | C9 | HC93 | 100.5° | 109.4° |
H101 | C10 | H102 | 110.3° | 109.5° |
H101 | C10 | H103 | 110.2° | 109.4° |
H102 | C10 | H103 | 99.9° | 109.5° |
H111 | C11 | H112 | 110.6° | 109.5° |
H111 | C11 | H113 | 110.4° | 109.4° |
H112 | C11 | H113 | 99.8° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N3 | C2 | C7 | C8 | 109.0° | 105.3° |
N3 | C2 | C7 | C11 | 123.6° | 129.4° |
N3 | C2 | C8 | C11 | 126.9° | 127.4° |
C2 | N3 | C4 | HN3 | 125.2° | 113.9° |
C2 | N3 | C4 | C5 | 0.1° | 0.6° |
C2 | N3 | C4 | HC41 | 125.3° | 118.0° |
C2 | N3 | C4 | HC42 | 125.2° | 119.8° |
N3 | C2 | C8 | C5 | 50.3° | 52.6° |
N3 | C2 | C7 | C6 | 70.6° | 70.7° |
N3 | C2 | C7 | HC71 | 54.6° | 170.4° |
N3 | C2 | C7 | HC72 | 164.2° | 47.8° |
N3 | C2 | C8 | C9 | 67.8° | 64.0° |
N3 | C2 | C8 | C10 | 167.6° | 169.1° |
N3 | C2 | C11 | H111 | 179.9° | 62.5° |
N3 | C2 | C11 | H112 | 54.7° | 57.5° |
N3 | C2 | C11 | H113 | 54.8° | 177.5° |
C7 | C2 | C8 | C11 | 124.5° | 125.2° |
C7 | C2 | N3 | C4 | 74.4° | 70.6° |
C7 | C2 | N3 | HN3 | 50.8° | 43.8° |
C2 | C7 | C6 | C5 | 0.2° | 0.4° |
C7 | C2 | C8 | C5 | 58.3° | 54.9° |
C2 | C7 | C6 | HC71 | 125.3° | 119.3° |
C2 | C7 | C6 | HC72 | 125.2° | 118.3° |
C2 | C7 | C6 | HC61 | 125.4° | 118.2° |
C2 | C7 | C6 | HC62 | 125.1° | 119.1° |
C2 | C7 | HC71 | HC72 | 121.5° | 122.4° |
C7 | C2 | C8 | C9 | 176.5° | 171.5° |
C7 | C2 | C8 | C10 | 59.0° | 61.6° |
C7 | C2 | C11 | H111 | 62.5° | 61.0° |
C7 | C2 | C11 | H112 | 62.8° | 178.9° |
C7 | C2 | C11 | H113 | 172.3° | 58.9° |
C8 | C2 | N3 | C4 | 34.9° | 33.1° |
C8 | C2 | N3 | HN3 | 160.2° | 147.6° |
C2 | C8 | C5 | C4 | 50.7° | 51.4° |
C2 | C8 | C5 | C6 | 58.2° | 55.7° |
C2 | C8 | C5 | C9 | 119.0° | 116.5° |
C2 | C8 | C5 | C10 | 116.7° | 116.6° |
C2 | C8 | C5 | HC5 | 176.2° | 177.5° |
C8 | C2 | C7 | C6 | 38.4° | 34.5° |
C8 | C2 | C7 | HC71 | 163.7° | 84.4° |
C8 | C2 | C7 | HC72 | 86.8° | 153.0° |
C2 | C8 | C9 | C10 | 128.9° | 127.1° |
C2 | C8 | C9 | HC91 | 180.0° | 173.6° |
C2 | C8 | C9 | HC92 | 54.7° | 66.4° |
C2 | C8 | C9 | HC93 | 54.7° | 53.6° |
C2 | C8 | C10 | H101 | 180.0° | 173.6° |
C2 | C8 | C10 | H102 | 54.7° | 53.6° |
C2 | C8 | C10 | H103 | 54.8° | 66.4° |
C8 | C2 | C11 | H111 | 58.1° | 177.6° |
C8 | C2 | C11 | H112 | 176.6° | 62.3° |
C8 | C2 | C11 | H113 | 67.1° | 57.7° |
C11 | C2 | N3 | C4 | 163.4° | 160.3° |
C11 | C2 | N3 | HN3 | 71.4° | 85.3° |
C11 | C2 | C8 | C5 | 177.2° | 179.9° |
C11 | C2 | C7 | C6 | 165.8° | 159.8° |
C11 | C2 | C7 | HC71 | 69.0° | 40.9° |
C11 | C2 | C7 | HC72 | 40.6° | 81.7° |
C11 | C2 | C8 | C9 | 59.0° | 63.4° |
C11 | C2 | C8 | C10 | 65.5° | 63.5° |
C2 | C11 | H111 | H112 | 125.3° | 120.1° |
C2 | C11 | H111 | H113 | 125.2° | 119.9° |
C2 | C11 | H112 | H113 | 116.4° | 120.0° |
N3 | C4 | C5 | HC41 | 125.3° | 118.4° |
N3 | C4 | C5 | HC42 | 125.3° | 119.6° |
N3 | C4 | HC41 | HC42 | 120.8° | 122.1° |
N3 | C4 | C5 | C6 | 74.6° | 69.8° |
N3 | C4 | C5 | C8 | 35.0° | 33.8° |
N3 | C4 | C5 | HC5 | 160.0° | 160.1° |
HN3 | N3 | C4 | C5 | 125.3° | 113.2° |
HN3 | N3 | C4 | HC41 | 109.5° | 4.2° |
HN3 | N3 | C4 | HC42 | 0.1° | 126.3° |
C5 | C4 | HC41 | HC42 | 120.7° | 122.8° |
C4 | C5 | C6 | C8 | 109.7° | 102.9° |
C4 | C5 | C6 | HC5 | 125.4° | 130.1° |
C4 | C5 | C8 | HC5 | 125.5° | 126.1° |
C4 | C5 | C6 | C7 | 71.5° | 67.7° |
C4 | C5 | C6 | HC61 | 163.3° | 173.7° |
C4 | C5 | C6 | HC62 | 53.8° | 51.0° |
C4 | C5 | C8 | C9 | 68.4° | 65.1° |
C4 | C5 | C8 | C10 | 167.4° | 168.0° |
HC41 | C4 | C5 | C6 | 160.1° | 48.5° |
HC41 | C4 | C5 | C8 | 90.2° | 152.2° |
HC41 | C4 | C5 | HC5 | 34.7° | 81.5° |
HC42 | C4 | C5 | C6 | 50.7° | 170.6° |
HC42 | C4 | C5 | C8 | 160.3° | 85.8° |
HC42 | C4 | C5 | HC5 | 74.8° | 40.5° |
C6 | C5 | C8 | HC5 | 125.6° | 126.8° |
C5 | C6 | C7 | HC61 | 125.2° | 118.6° |
C5 | C6 | C7 | HC62 | 125.2° | 118.6° |
C5 | C6 | HC61 | HC62 | 121.2° | 122.7° |
C5 | C6 | C7 | HC71 | 125.4° | 119.7° |
C5 | C6 | C7 | HC72 | 125.0° | 117.9° |
C6 | C5 | C8 | C9 | 177.2° | 172.3° |
C6 | C5 | C8 | C10 | 58.5° | 60.9° |
C8 | C5 | C6 | C7 | 38.2° | 35.2° |
C8 | C5 | C6 | HC61 | 87.0° | 83.4° |
C8 | C5 | C6 | HC62 | 163.5° | 153.9° |
C5 | C8 | C9 | C10 | 129.0° | 127.1° |
C5 | C8 | C9 | HC91 | 78.0° | 67.8° |
C5 | C8 | C9 | HC92 | 156.8° | 172.2° |
C5 | C8 | C9 | HC93 | 47.3° | 52.3° |
C5 | C8 | C10 | H101 | 79.3° | 67.8° |
C5 | C8 | C10 | H102 | 46.0° | 52.3° |
C5 | C8 | C10 | H103 | 155.5° | 172.3° |
HC5 | C5 | C6 | C7 | 163.2° | 162.3° |
HC5 | C5 | C6 | HC61 | 37.9° | 43.6° |
HC5 | C5 | C6 | HC62 | 71.5° | 79.1° |
HC5 | C5 | C8 | C9 | 57.2° | 61.0° |
HC5 | C5 | C8 | C10 | 67.1° | 65.9° |
C7 | C6 | HC61 | HC62 | 121.3° | 122.7° |
C6 | C7 | HC71 | HC72 | 121.5° | 122.4° |
HC61 | C6 | C7 | HC71 | 109.3° | 1.0° |
HC61 | C6 | C7 | HC72 | 0.2° | 123.4° |
HC62 | C6 | C7 | HC71 | 0.2° | 121.7° |
HC62 | C6 | C7 | HC72 | 109.7° | 0.7° |
C8 | C9 | HC91 | HC92 | 125.3° | 120.0° |
C8 | C9 | HC91 | HC93 | 125.3° | 120.1° |
C8 | C9 | HC92 | HC93 | 115.4° | 120.0° |
C9 | C8 | C10 | H101 | 49.9° | 59.3° |
C9 | C8 | C10 | H102 | 175.2° | 179.3° |
C9 | C8 | C10 | H103 | 75.3° | 60.7° |
C10 | C8 | C9 | HC91 | 51.1° | 59.3° |
C10 | C8 | C9 | HC92 | 74.2° | 60.7° |
C10 | C8 | C9 | HC93 | 176.4° | 179.3° |
C8 | C10 | H101 | H102 | 125.3° | 120.0° |
C8 | C10 | H101 | H103 | 125.3° | 120.0° |
C8 | C10 | H102 | H103 | 116.2° | 120.0° |
HC91 | C9 | HC92 | HC93 | 115.3° | 120.0° |
H101 | C10 | H102 | H103 | 116.1° | 120.0° |
H111 | C11 | H112 | H113 | 116.3° | 120.0° |