ZF0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N3 | C9 | sing | 1.47Å | 1.44Å | |
C9 | C10 | sing | 1.51Å | 1.53Å | |
C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
C10 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
C12 | C13 | sing | 1.51Å | 1.52Å | |
C12 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
N3 | HN3 | sing | 1.01Å | 1.00Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H13A | sing | 1.09Å | 1.10Å | |
C13 | H13B | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
N3 | H2 | sing | 1.01Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N3 | C9 | C10 | 108.4° | 109.5° |
C9 | N3 | HN3 | 109.5° | 111.0° |
N3 | C9 | H9 | 109.8° | 109.5° |
N3 | C9 | H9A | 109.8° | 109.5° |
C9 | N3 | H2 | 109.5° | 111.0° |
C9 | C10 | C11 | 120.5° | 120.0° |
C9 | C10 | C16 | 119.4° | 120.0° |
C10 | C9 | H9 | 109.8° | 109.4° |
C10 | C9 | H9A | 109.8° | 109.5° |
C11 | C10 | C16 | 120.2° | 120.0° |
C10 | C11 | C12 | 120.0° | 120.0° |
C10 | C11 | H11 | 120.0° | 120.0° |
C10 | C16 | C15 | 120.2° | 120.0° |
C10 | C16 | H16 | 119.9° | 119.9° |
C11 | C12 | C13 | 120.9° | 120.0° |
C11 | C12 | C14 | 119.2° | 120.0° |
C12 | C11 | H11 | 120.0° | 120.0° |
C13 | C12 | C14 | 119.9° | 119.9° |
C12 | C13 | H13 | 109.5° | 109.4° |
C12 | C13 | H13A | 109.5° | 109.5° |
C12 | C13 | H13B | 109.5° | 109.5° |
C12 | C14 | C15 | 121.3° | 120.0° |
C12 | C14 | H14 | 119.4° | 120.0° |
C14 | C15 | C16 | 119.1° | 120.0° |
C15 | C14 | H14 | 119.3° | 120.0° |
C14 | C15 | H15 | 120.5° | 120.0° |
C16 | C15 | H15 | 120.5° | 120.0° |
C15 | C16 | H16 | 119.9° | 120.0° |
HN3 | N3 | H2 | 109.5° | 111.0° |
H9 | C9 | H9A | 109.1° | 109.4° |
H13 | C13 | H13A | 109.5° | 109.5° |
H13 | C13 | H13B | 109.4° | 109.4° |
H13A | C13 | H13B | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N3 | C9 | C10 | H9 | 120.0° | 120.0° |
N3 | C9 | C10 | H9A | 120.0° | 120.0° |
N3 | C9 | C10 | C11 | 70.1° | 90.0° |
N3 | C9 | C10 | C16 | 109.9° | 90.3° |
C9 | N3 | HN3 | H2 | 120.0° | 124.0° |
N3 | C9 | H9 | H9A | 120.4° | 120.0° |
C9 | C10 | C11 | C16 | 180.0° | 179.7° |
C9 | C10 | C11 | C12 | 180.0° | 180.0° |
C9 | C10 | C16 | C15 | 180.0° | 179.8° |
C10 | C9 | N3 | HN3 | 180.0° | 180.0° |
C10 | C9 | H9 | H9A | 120.4° | 120.0° |
C9 | C10 | C11 | H11 | 0.0° | 0.1° |
C9 | C10 | C16 | H16 | 0.0° | 0.1° |
C10 | C9 | N3 | H2 | 60.0° | 56.0° |
C10 | C11 | C12 | H11 | 180.0° | 179.9° |
C10 | C11 | C12 | C13 | 180.0° | 179.9° |
C10 | C11 | C12 | C14 | 0.0° | 0.1° |
C11 | C10 | C16 | C15 | 0.0° | 0.5° |
C11 | C10 | C9 | H9 | 50.0° | 30.0° |
C11 | C10 | C9 | H9A | 170.0° | 150.0° |
C11 | C10 | C16 | H16 | 180.0° | 179.6° |
C16 | C10 | C11 | C12 | 0.0° | 0.3° |
C10 | C16 | C15 | C14 | 0.0° | 0.5° |
C10 | C16 | C15 | H16 | 180.0° | 179.8° |
C16 | C10 | C9 | H9 | 130.1° | 149.7° |
C16 | C10 | C9 | H9A | 10.1° | 29.8° |
C16 | C10 | C11 | H11 | 179.9° | 179.8° |
C10 | C16 | C15 | H15 | 180.0° | 179.8° |
C11 | C12 | C13 | C14 | 180.0° | 180.0° |
C11 | C12 | C14 | C15 | 0.1° | 0.0° |
C11 | C12 | C13 | H13 | 90.0° | 90.0° |
C11 | C12 | C13 | H13A | 150.0° | 150.0° |
C11 | C12 | C13 | H13B | 30.0° | 29.9° |
C11 | C12 | C14 | H14 | 179.9° | 180.0° |
C13 | C12 | C14 | C15 | 179.9° | 180.0° |
C13 | C12 | C11 | H11 | 0.0° | 0.0° |
C12 | C13 | H13 | H13A | 120.0° | 120.0° |
C12 | C13 | H13 | H13B | 120.0° | 119.9° |
C12 | C13 | H13A | H13B | 120.0° | 120.0° |
C13 | C12 | C14 | H14 | 0.1° | 0.0° |
C12 | C14 | C15 | H14 | 180.0° | 180.0° |
C12 | C14 | C15 | C16 | 0.1° | 0.2° |
C14 | C12 | C11 | H11 | 180.0° | 180.0° |
C14 | C12 | C13 | H13 | 90.0° | 90.0° |
C14 | C12 | C13 | H13A | 30.0° | 30.0° |
C14 | C12 | C13 | H13B | 150.0° | 150.0° |
C12 | C14 | C15 | H15 | 179.9° | 180.0° |
C14 | C15 | C16 | H15 | 180.0° | 179.8° |
C14 | C15 | C16 | H16 | 180.0° | 179.7° |
C16 | C15 | C14 | H14 | 179.9° | 179.8° |
HN3 | N3 | C9 | H9 | 60.0° | 60.0° |
HN3 | N3 | C9 | H9A | 60.0° | 60.0° |
H9 | C9 | N3 | H2 | 60.0° | 64.0° |
H9A | C9 | N3 | H2 | 180.0° | 176.0° |
H13 | C13 | H13A | H13B | 120.0° | 120.0° |
H14 | C14 | C15 | H15 | 0.1° | 0.0° |
H15 | C15 | C16 | H16 | 0.0° | 0.1° |