P5N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N12 | C11 | sing | 1.34Å | 1.33Å | Aromatic |
N12 | C13 | doub | 1.30Å | 1.34Å | Aromatic |
C11 | C10 | doub | 1.35Å | 1.36Å | Aromatic |
C13 | N09 | sing | 1.36Å | 1.34Å | Aromatic |
C10 | N09 | sing | 1.37Å | 1.31Å | Aromatic |
N09 | C06 | sing | 1.40Å | 1.45Å | |
C06 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
C06 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
C07 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
C08 | C03 | doub | 1.40Å | 1.38Å | Aromatic |
C04 | C03 | sing | 1.40Å | 1.39Å | Aromatic |
C03 | C01 | sing | 1.47Å | 1.52Å | |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C13 | H2 | sing | 1.08Å | 1.08Å | |
C01 | H3 | sing | 1.08Å | 1.08Å | |
C04 | H6 | sing | 1.08Å | 1.08Å | |
C05 | H7 | sing | 1.08Å | 1.08Å | |
C07 | H8 | sing | 1.08Å | 1.08Å | |
C08 | H9 | sing | 1.08Å | 1.08Å | |
C11 | H10 | sing | 1.08Å | 1.08Å | |
C01 | O1 | doub | 1.21Å | 29.32Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C11 | N12 | C13 | 107.5° | 109.4° |
N12 | C11 | C10 | 108.5° | 108.2° |
N12 | C11 | H10 | 125.7° | 125.9° |
N12 | C13 | N09 | 107.6° | 108.6° |
N12 | C13 | H2 | 126.2° | 125.7° |
C11 | C10 | N09 | 107.1° | 106.8° |
C11 | C10 | H1 | 126.5° | 126.6° |
C10 | C11 | H10 | 125.7° | 125.9° |
C13 | N09 | C10 | 109.3° | 107.0° |
C13 | N09 | C06 | 124.7° | 126.5° |
N09 | C13 | H2 | 126.2° | 125.7° |
C10 | N09 | C06 | 126.0° | 126.5° |
N09 | C10 | H1 | 126.5° | 126.6° |
N09 | C06 | C07 | 118.6° | 119.9° |
N09 | C06 | C05 | 120.7° | 119.9° |
C07 | C06 | C05 | 120.7° | 120.2° |
C06 | C07 | C08 | 119.9° | 120.1° |
C06 | C07 | H8 | 120.1° | 119.9° |
C06 | C05 | C04 | 119.3° | 120.1° |
C06 | C05 | H7 | 120.4° | 120.0° |
C07 | C08 | C03 | 119.7° | 119.9° |
C08 | C07 | H8 | 120.0° | 120.0° |
C07 | C08 | H9 | 120.1° | 120.1° |
C05 | C04 | C03 | 120.0° | 119.9° |
C05 | C04 | H6 | 120.0° | 120.0° |
C04 | C05 | H7 | 120.3° | 119.9° |
C08 | C03 | C04 | 120.4° | 119.8° |
C08 | C03 | C01 | 119.0° | 120.1° |
C03 | C08 | H9 | 120.2° | 120.1° |
C04 | C03 | C01 | 120.6° | 120.1° |
C03 | C04 | H6 | 120.0° | 120.1° |
C03 | C01 | H3 | 153.1° | 120.0° |
C03 | C01 | O1 | 53.7° | 119.9° |
H3 | C01 | O1 | 153.1° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N12 | C11 | C10 | H10 | 180.0° | 179.9° |
C11 | N12 | C13 | N09 | 0.7° | 0.4° |
N12 | C11 | C10 | N09 | 0.3° | 0.1° |
N12 | C11 | C10 | H1 | 179.7° | 179.7° |
C11 | N12 | C13 | H2 | 179.3° | 180.0° |
C13 | N12 | C11 | C10 | 0.6° | 0.2° |
N12 | C13 | N09 | H2 | 180.0° | 179.6° |
N12 | C13 | N09 | C10 | 0.6° | 0.5° |
N12 | C13 | N09 | C06 | 179.1° | 179.6° |
C13 | N12 | C11 | H10 | 179.4° | 179.7° |
C11 | C10 | N09 | C13 | 0.2° | 0.3° |
C11 | C10 | N09 | H1 | 180.0° | 179.6° |
C11 | C10 | N09 | C06 | 178.7° | 179.7° |
C13 | N09 | C10 | C06 | 178.5° | 180.0° |
C13 | N09 | C06 | C07 | 131.7° | 0.0° |
C13 | N09 | C06 | C05 | 47.1° | 179.7° |
C13 | N09 | C10 | H1 | 179.8° | 180.0° |
C10 | N09 | C06 | C07 | 46.6° | 179.9° |
C10 | N09 | C06 | C05 | 134.6° | 0.3° |
C10 | N09 | C13 | H2 | 179.4° | 180.0° |
N09 | C10 | C11 | H10 | 179.7° | 180.0° |
N09 | C06 | C07 | C05 | 178.8° | 179.7° |
N09 | C06 | C07 | C08 | 178.9° | 180.0° |
N09 | C06 | C05 | C04 | 179.2° | 179.8° |
C06 | N09 | C10 | H1 | 1.3° | 0.1° |
C06 | N09 | C13 | H2 | 0.9° | 0.0° |
N09 | C06 | C05 | H7 | 0.8° | 0.3° |
N09 | C06 | C07 | H8 | 1.1° | 0.3° |
C06 | C07 | C08 | H8 | 180.0° | 179.7° |
C07 | C06 | C05 | C04 | 0.4° | 0.1° |
C06 | C07 | C08 | C03 | 0.2° | 0.6° |
C07 | C06 | C05 | H7 | 179.6° | 180.0° |
C06 | C07 | C08 | H9 | 179.8° | 180.0° |
C05 | C06 | C07 | C08 | 0.1° | 0.3° |
C06 | C05 | C04 | H7 | 180.0° | 179.9° |
C06 | C05 | C04 | C03 | 0.4° | 0.1° |
C06 | C05 | C04 | H6 | 179.6° | 180.0° |
C05 | C06 | C07 | H8 | 179.9° | 180.0° |
C07 | C08 | C03 | H9 | 180.0° | 179.5° |
C07 | C08 | C03 | C04 | 0.2° | 0.6° |
C07 | C08 | C03 | C01 | 179.6° | 179.8° |
C05 | C04 | C03 | C08 | 0.1° | 0.3° |
C05 | C04 | C03 | H6 | 180.0° | 179.9° |
C05 | C04 | C03 | C01 | 179.9° | 180.0° |
C08 | C03 | C04 | C01 | 179.8° | 179.7° |
C08 | C03 | C01 | H3 | 119.9° | 0.3° |
C08 | C03 | C04 | H6 | 179.9° | 179.8° |
C03 | C08 | C07 | H8 | 179.8° | 179.8° |
C08 | C03 | C01 | O1 | 60.0° | 179.7° |
C04 | C03 | C01 | H3 | 60.3° | 180.0° |
C03 | C04 | C05 | H7 | 179.6° | 180.0° |
C04 | C03 | C08 | H9 | 179.8° | 180.0° |
C04 | C03 | C01 | O1 | 119.7° | 0.0° |
C03 | C01 | H3 | O1 | 179.9° | 180.0° |
C01 | C03 | C04 | H6 | 0.1° | 0.1° |
C01 | C03 | C08 | H9 | 0.4° | 0.3° |
H1 | C10 | C11 | H10 | 0.3° | 0.4° |
H6 | C04 | C05 | H7 | 0.4° | 0.1° |
H8 | C07 | C08 | H9 | 0.2° | 0.3° |