FZ3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CL1 | C01 | sing | 1.74Å | 1.72Å | |
C06 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
C06 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
C01 | C02 | sing | 1.38Å | 1.37Å | Aromatic |
C05 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
C04 | C07 | sing | 1.51Å | 1.41Å | |
C07 | C08 | sing | 1.53Å | 1.53Å | |
C08 | C09 | sing | 1.53Å | 1.53Å | |
C09 | N10 | sing | 1.47Å | 1.49Å | |
C11 | N10 | sing | 1.37Å | 1.33Å | Aromatic |
C11 | C12 | doub | 1.35Å | 1.33Å | Aromatic |
N10 | C14 | sing | 1.35Å | 1.33Å | Aromatic |
C12 | N13 | sing | 1.34Å | 1.33Å | Aromatic |
C14 | N13 | doub | 1.30Å | 1.33Å | Aromatic |
C02 | H1 | sing | 1.08Å | 1.08Å | |
C03 | H2 | sing | 1.08Å | 1.08Å | |
C05 | H3 | sing | 1.08Å | 1.08Å | |
C06 | H4 | sing | 1.08Å | 1.08Å | |
C07 | H5 | sing | 1.09Å | 1.10Å | |
C07 | H6 | sing | 1.09Å | 1.10Å | |
C08 | H7 | sing | 1.09Å | 1.10Å | |
C08 | H8 | sing | 1.09Å | 1.10Å | |
C09 | H9 | sing | 1.09Å | 1.10Å | |
C09 | H10 | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C14 | H13 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CL1 | C01 | C06 | 122.9° | 120.0° |
CL1 | C01 | C02 | 117.7° | 120.0° |
C01 | C06 | C05 | 120.1° | 120.0° |
C06 | C01 | C02 | 119.5° | 119.9° |
C01 | C06 | H4 | 119.9° | 120.0° |
C06 | C05 | C04 | 120.2° | 120.0° |
C06 | C05 | H3 | 119.9° | 120.0° |
C05 | C06 | H4 | 120.0° | 120.0° |
C01 | C02 | C03 | 120.8° | 120.0° |
C01 | C02 | H1 | 119.6° | 120.0° |
C05 | C04 | C03 | 117.5° | 120.1° |
C05 | C04 | C07 | 123.7° | 120.0° |
C04 | C05 | H3 | 119.9° | 120.0° |
C02 | C03 | C04 | 121.9° | 120.0° |
C03 | C02 | H1 | 119.6° | 120.0° |
C02 | C03 | H2 | 119.0° | 120.0° |
C03 | C04 | C07 | 118.8° | 119.9° |
C04 | C03 | H2 | 119.0° | 120.1° |
C04 | C07 | C08 | 110.5° | 109.5° |
C04 | C07 | H5 | 109.2° | 109.4° |
C04 | C07 | H6 | 109.2° | 109.5° |
C07 | C08 | C09 | 114.3° | 109.5° |
C08 | C07 | H5 | 109.2° | 109.5° |
C08 | C07 | H6 | 109.2° | 109.5° |
C07 | C08 | H7 | 108.3° | 109.5° |
C07 | C08 | H8 | 108.3° | 109.5° |
C08 | C09 | N10 | 107.8° | 109.5° |
C09 | C08 | H7 | 108.2° | 109.5° |
C09 | C08 | H8 | 108.3° | 109.5° |
C08 | C09 | H9 | 109.9° | 109.5° |
C08 | C09 | H10 | 109.9° | 109.5° |
C09 | N10 | C11 | 125.2° | 126.4° |
C09 | N10 | C14 | 127.3° | 126.4° |
N10 | C09 | H9 | 109.9° | 109.4° |
N10 | C09 | H10 | 109.9° | 109.5° |
N10 | C11 | C12 | 108.3° | 106.9° |
C11 | N10 | C14 | 107.4° | 107.2° |
N10 | C11 | H11 | 125.8° | 126.6° |
C11 | C12 | N13 | 107.9° | 108.0° |
C12 | C11 | H11 | 125.9° | 126.6° |
C11 | C12 | H12 | 126.0° | 126.1° |
N10 | C14 | N13 | 108.1° | 108.7° |
N10 | C14 | H13 | 125.9° | 125.6° |
C12 | N13 | C14 | 108.2° | 109.2° |
N13 | C12 | H12 | 126.1° | 125.9° |
N13 | C14 | H13 | 126.0° | 125.7° |
H5 | C07 | H6 | 109.5° | 109.5° |
H7 | C08 | H8 | 109.5° | 109.4° |
H9 | C09 | H10 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CL1 | C01 | C06 | C02 | 179.8° | 179.7° |
CL1 | C01 | C06 | C05 | 179.7° | 179.7° |
CL1 | C01 | C02 | C03 | 179.7° | 180.0° |
CL1 | C01 | C02 | H1 | 0.3° | 0.0° |
CL1 | C01 | C06 | H4 | 0.3° | 0.1° |
C01 | C06 | C05 | H4 | 180.0° | 179.8° |
C01 | C06 | C05 | C04 | 0.4° | 0.6° |
C06 | C01 | C02 | C03 | 0.1° | 0.3° |
C06 | C01 | C02 | H1 | 179.9° | 179.8° |
C01 | C06 | C05 | H3 | 179.6° | 179.7° |
C05 | C06 | C01 | C02 | 0.5° | 0.6° |
C06 | C05 | C04 | H3 | 180.0° | 179.7° |
C06 | C05 | C04 | C03 | 0.3° | 0.3° |
C06 | C05 | C04 | C07 | 179.4° | 179.7° |
C01 | C02 | C03 | H1 | 180.0° | 180.0° |
C01 | C02 | C03 | C04 | 0.9° | 0.0° |
C01 | C02 | C03 | H2 | 179.2° | 180.0° |
C02 | C01 | C06 | H4 | 179.5° | 179.7° |
C05 | C04 | C03 | C02 | 1.0° | 0.0° |
C05 | C04 | C03 | C07 | 179.7° | 180.0° |
C05 | C04 | C07 | C08 | 70.9° | 90.0° |
C05 | C04 | C03 | H2 | 179.1° | 180.0° |
C04 | C05 | C06 | H4 | 179.6° | 179.7° |
C05 | C04 | C07 | H5 | 49.3° | 30.0° |
C05 | C04 | C07 | H6 | 168.9° | 150.0° |
C02 | C03 | C04 | H2 | 180.0° | 180.0° |
C02 | C03 | C04 | C07 | 178.8° | 180.0° |
C03 | C04 | C07 | C08 | 109.4° | 90.0° |
C04 | C03 | C02 | H1 | 179.1° | 180.0° |
C03 | C04 | C05 | H3 | 179.7° | 180.0° |
C03 | C04 | C07 | H5 | 130.5° | 150.0° |
C03 | C04 | C07 | H6 | 10.8° | 30.0° |
C04 | C07 | C08 | H5 | 120.2° | 119.9° |
C04 | C07 | C08 | H6 | 120.2° | 120.1° |
C04 | C07 | C08 | C09 | 159.8° | 180.0° |
C07 | C04 | C03 | H2 | 1.2° | 0.0° |
C07 | C04 | C05 | H3 | 0.6° | 0.0° |
C04 | C07 | H5 | H6 | 119.5° | 120.0° |
C04 | C07 | C08 | H7 | 39.1° | 60.0° |
C04 | C07 | C08 | H8 | 79.5° | 59.9° |
C07 | C08 | C09 | H7 | 120.7° | 120.0° |
C07 | C08 | C09 | H8 | 120.7° | 120.1° |
C07 | C08 | C09 | N10 | 166.0° | 180.0° |
C08 | C07 | H5 | H6 | 119.5° | 120.0° |
C07 | C08 | H7 | H8 | 117.8° | 120.0° |
C07 | C08 | C09 | H9 | 74.3° | 60.0° |
C07 | C08 | C09 | H10 | 46.2° | 59.9° |
C08 | C09 | N10 | H9 | 119.7° | 120.0° |
C08 | C09 | N10 | H10 | 119.8° | 120.0° |
C08 | C09 | N10 | C11 | 49.5° | 89.8° |
C08 | C09 | N10 | C14 | 127.7° | 90.0° |
C09 | C08 | C07 | H5 | 80.0° | 60.1° |
C09 | C08 | C07 | H6 | 39.6° | 59.9° |
C09 | C08 | H7 | H8 | 117.8° | 120.0° |
C08 | C09 | H9 | H10 | 120.8° | 120.0° |
C09 | N10 | C11 | C14 | 177.7° | 179.8° |
C09 | N10 | C11 | C12 | 179.7° | 180.0° |
C09 | N10 | C14 | N13 | 179.1° | 179.9° |
N10 | C09 | C08 | H7 | 45.3° | 60.0° |
N10 | C09 | C08 | H8 | 73.3° | 60.0° |
N10 | C09 | H9 | H10 | 120.8° | 120.0° |
C09 | N10 | C11 | H11 | 0.3° | 0.1° |
C09 | N10 | C14 | H13 | 0.8° | 0.0° |
N10 | C11 | C12 | H11 | 180.0° | 180.0° |
N10 | C11 | C12 | N13 | 1.7° | 0.0° |
C11 | N10 | C14 | N13 | 1.5° | 0.3° |
C11 | N10 | C09 | H9 | 70.2° | 150.3° |
C11 | N10 | C09 | H10 | 169.3° | 30.3° |
N10 | C11 | C12 | H12 | 178.3° | 180.0° |
C11 | N10 | C14 | H13 | 178.5° | 179.8° |
C12 | C11 | N10 | C14 | 2.0° | 0.2° |
C11 | C12 | N13 | H12 | 180.0° | 180.0° |
C11 | C12 | N13 | C14 | 0.8° | 0.2° |
N10 | C14 | N13 | C12 | 0.5° | 0.3° |
N10 | C14 | N13 | H13 | 180.0° | 179.9° |
C14 | N10 | C09 | H9 | 112.5° | 30.0° |
C14 | N10 | C09 | H10 | 8.0° | 150.0° |
C14 | N10 | C11 | H11 | 178.0° | 179.8° |
N13 | C12 | C11 | H11 | 178.3° | 180.0° |
C12 | N13 | C14 | H13 | 179.5° | 179.8° |
C14 | N13 | C12 | H12 | 179.3° | 179.8° |
H1 | C02 | C03 | H2 | 0.8° | 0.0° |
H3 | C05 | C06 | H4 | 0.4° | 0.1° |
H5 | C07 | C08 | H7 | 159.3° | 179.9° |
H5 | C07 | C08 | H8 | 40.7° | 60.0° |
H6 | C07 | C08 | H7 | 81.1° | 60.1° |
H6 | C07 | C08 | H8 | 160.4° | 180.0° |
H7 | C08 | C09 | H9 | 165.0° | 180.0° |
H7 | C08 | C09 | H10 | 74.5° | 60.0° |
H8 | C08 | C09 | H9 | 46.5° | 60.0° |
H8 | C08 | C09 | H10 | 166.9° | 180.0° |
H11 | C11 | C12 | H12 | 1.7° | 0.0° |