L2Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C11 | P09 | sing | 1.82Å | 1.86Å | |
N08 | P09 | sing | 1.64Å | 1.70Å | |
N08 | C06 | doub | 1.29Å | 1.45Å | |
P09 | O12 | doub | 1.48Å | 1.64Å | |
C01 | C02 | sing | 1.53Å | 1.53Å | |
N03 | C04 | sing | 1.47Å | 1.45Å | |
N03 | C06 | sing | 1.37Å | 1.45Å | |
N03 | C02 | sing | 1.46Å | 1.45Å | |
C04 | C05 | sing | 1.53Å | 1.53Å | |
C06 | C07 | sing | 1.51Å | 1.53Å | |
P09 | F1 | sing | 1.67Å | 1.40Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C02 | H4 | sing | 1.09Å | 1.10Å | |
C02 | H5 | sing | 1.09Å | 1.10Å | |
C04 | H6 | sing | 1.09Å | 1.10Å | |
C04 | H7 | sing | 1.09Å | 1.10Å | |
C05 | H8 | sing | 1.09Å | 1.10Å | |
C05 | H9 | sing | 1.09Å | 1.10Å | |
C05 | H10 | sing | 1.09Å | 1.10Å | |
C07 | H12 | sing | 1.09Å | 1.10Å | |
C07 | H13 | sing | 1.09Å | 1.10Å | |
C07 | H14 | sing | 1.09Å | 1.10Å | |
C11 | H15 | sing | 1.09Å | 1.10Å | |
C11 | H16 | sing | 1.09Å | 1.10Å | |
C11 | H17 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C11 | P09 | N08 | 109.1° | 109.5° |
C11 | P09 | O12 | 111.1° | 109.5° |
C11 | P09 | F1 | 112.4° | 109.4° |
P09 | C11 | H15 | 109.5° | 109.5° |
P09 | C11 | H16 | 109.5° | 109.5° |
P09 | C11 | H17 | 109.5° | 109.4° |
P09 | N08 | C06 | 115.0° | 120.0° |
N08 | P09 | O12 | 112.1° | 109.5° |
N08 | P09 | F1 | 97.1° | 109.5° |
N08 | C06 | N03 | 106.3° | 120.0° |
N08 | C06 | C07 | 109.2° | 120.0° |
O12 | P09 | F1 | 114.3° | 109.5° |
C01 | C02 | N03 | 109.9° | 109.5° |
C02 | C01 | H1 | 109.5° | 109.4° |
C02 | C01 | H2 | 109.5° | 109.4° |
C02 | C01 | H3 | 109.5° | 109.5° |
C01 | C02 | H4 | 109.4° | 109.5° |
C01 | C02 | H5 | 109.4° | 109.4° |
C04 | N03 | C06 | 111.2° | 120.0° |
C04 | N03 | C02 | 110.8° | 120.0° |
N03 | C04 | C05 | 110.6° | 109.5° |
N03 | C04 | H6 | 109.2° | 109.5° |
N03 | C04 | H7 | 109.2° | 109.4° |
C06 | N03 | C02 | 112.2° | 120.0° |
N03 | C06 | C07 | 108.1° | 120.0° |
N03 | C02 | H4 | 109.4° | 109.5° |
N03 | C02 | H5 | 109.4° | 109.5° |
C05 | C04 | H6 | 109.2° | 109.5° |
C05 | C04 | H7 | 109.2° | 109.5° |
C04 | C05 | H8 | 109.5° | 109.5° |
C04 | C05 | H9 | 109.5° | 109.5° |
C04 | C05 | H10 | 109.5° | 109.5° |
C06 | C07 | H12 | 109.5° | 109.4° |
C06 | C07 | H13 | 109.5° | 109.5° |
C06 | C07 | H14 | 109.5° | 109.5° |
H1 | C01 | H2 | 109.5° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.4° | 109.5° |
H4 | C02 | H5 | 109.4° | 109.5° |
H6 | C04 | H7 | 109.5° | 109.4° |
H8 | C05 | H9 | 109.5° | 109.5° |
H8 | C05 | H10 | 109.5° | 109.6° |
H9 | C05 | H10 | 109.5° | 109.4° |
H12 | C07 | H13 | 109.5° | 109.4° |
H12 | C07 | H14 | 109.5° | 109.5° |
H13 | C07 | H14 | 109.5° | 109.5° |
H15 | C11 | H16 | 109.5° | 109.5° |
H15 | C11 | H17 | 109.5° | 109.5° |
H16 | C11 | H17 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C11 | P09 | N08 | O12 | 123.5° | 120.0° |
C11 | P09 | N08 | F1 | 116.7° | 120.0° |
C11 | P09 | N08 | C06 | 101.0° | 160.9° |
C11 | P09 | O12 | F1 | 128.4° | 120.0° |
P09 | C11 | H15 | H16 | 120.0° | 120.0° |
P09 | C11 | H15 | H17 | 120.0° | 120.0° |
P09 | C11 | H16 | H17 | 120.0° | 120.0° |
N08 | P09 | O12 | F1 | 109.2° | 120.0° |
P09 | N08 | C06 | N03 | 171.1° | 176.7° |
P09 | N08 | C06 | C07 | 72.6° | 3.2° |
N08 | P09 | C11 | H15 | 180.0° | 60.0° |
N08 | P09 | C11 | H16 | 60.0° | 180.0° |
N08 | P09 | C11 | H17 | 60.0° | 60.0° |
C06 | N08 | P09 | O12 | 22.5° | 40.9° |
N08 | C06 | N03 | C04 | 82.6° | 3.5° |
N08 | C06 | N03 | C07 | 117.1° | 179.9° |
N08 | C06 | N03 | C02 | 152.8° | 176.4° |
C06 | N08 | P09 | F1 | 142.3° | 79.2° |
N08 | C06 | C07 | H12 | 180.0° | 153.6° |
N08 | C06 | C07 | H13 | 60.0° | 33.6° |
N08 | C06 | C07 | H14 | 60.0° | 86.4° |
O12 | P09 | C11 | H15 | 56.0° | 60.0° |
O12 | P09 | C11 | H16 | 176.0° | 60.0° |
O12 | P09 | C11 | H17 | 64.1° | 180.0° |
C01 | C02 | N03 | C04 | 78.4° | 95.0° |
C01 | C02 | N03 | C06 | 156.8° | 85.0° |
C01 | C02 | N03 | H4 | 120.1° | 120.0° |
C01 | C02 | N03 | H5 | 120.1° | 119.9° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 119.9° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | C02 | H4 | H5 | 119.8° | 119.9° |
C04 | N03 | C06 | C02 | 124.6° | 180.0° |
N03 | C04 | C05 | H6 | 120.2° | 120.1° |
N03 | C04 | C05 | H7 | 120.1° | 119.9° |
C04 | N03 | C06 | C07 | 160.3° | 176.4° |
C04 | N03 | C02 | H4 | 161.5° | 25.0° |
C04 | N03 | C02 | H5 | 41.7° | 145.1° |
N03 | C04 | H6 | H7 | 119.5° | 119.9° |
N03 | C04 | C05 | H8 | 180.0° | 60.0° |
N03 | C04 | C05 | H9 | 60.0° | 180.0° |
N03 | C04 | C05 | H10 | 60.0° | 60.1° |
C06 | N03 | C04 | C05 | 53.0° | 90.0° |
C06 | N03 | C02 | H4 | 36.7° | 155.0° |
C06 | N03 | C02 | H5 | 83.1° | 34.9° |
C06 | N03 | C04 | H6 | 173.1° | 30.1° |
C06 | N03 | C04 | H7 | 67.2° | 150.0° |
N03 | C06 | C07 | H12 | 64.8° | 26.5° |
N03 | C06 | C07 | H13 | 175.3° | 146.4° |
N03 | C06 | C07 | H14 | 55.3° | 93.5° |
C02 | N03 | C04 | C05 | 72.4° | 90.0° |
C02 | N03 | C06 | C07 | 35.7° | 3.6° |
N03 | C02 | C01 | H1 | 180.0° | 60.0° |
N03 | C02 | C01 | H2 | 60.0° | 59.9° |
N03 | C02 | C01 | H3 | 60.0° | 180.0° |
N03 | C02 | H4 | H5 | 119.8° | 120.0° |
C02 | N03 | C04 | H6 | 47.7° | 149.9° |
C02 | N03 | C04 | H7 | 167.4° | 30.0° |
C05 | C04 | H6 | H7 | 119.5° | 120.0° |
C04 | C05 | H8 | H9 | 120.0° | 120.0° |
C04 | C05 | H8 | H10 | 120.0° | 120.1° |
C04 | C05 | H9 | H10 | 120.0° | 119.9° |
C06 | C07 | H12 | H13 | 120.0° | 119.9° |
C06 | C07 | H12 | H14 | 120.0° | 120.0° |
C06 | C07 | H13 | H14 | 120.0° | 120.1° |
F1 | P09 | C11 | H15 | 73.5° | 180.0° |
F1 | P09 | C11 | H16 | 46.5° | 60.0° |
F1 | P09 | C11 | H17 | 166.4° | 60.0° |
H1 | C01 | H2 | H3 | 120.0° | 120.1° |
H1 | C01 | C02 | H4 | 59.9° | 60.0° |
H1 | C01 | C02 | H5 | 59.9° | 180.0° |
H2 | C01 | C02 | H4 | 60.1° | 180.0° |
H2 | C01 | C02 | H5 | 179.9° | 60.0° |
H3 | C01 | C02 | H4 | 179.9° | 60.0° |
H3 | C01 | C02 | H5 | 60.1° | 60.0° |
H6 | C04 | C05 | H8 | 59.8° | 179.9° |
H6 | C04 | C05 | H9 | 179.8° | 59.9° |
H6 | C04 | C05 | H10 | 60.2° | 59.9° |
H7 | C04 | C05 | H8 | 59.9° | 60.0° |
H7 | C04 | C05 | H9 | 60.1° | 60.0° |
H7 | C04 | C05 | H10 | 179.9° | 179.9° |
H8 | C05 | H9 | H10 | 120.0° | 120.1° |
H12 | C07 | H13 | H14 | 120.0° | 120.0° |
H15 | C11 | H16 | H17 | 120.0° | 120.0° |