Information card for entry 2214512

Structure parameters

• Chemical name: 2-(Isopropylidenehydrazono)-3-methyl-2,3-dihydroquinazoline-4(1H)-one
• Formula: C12 H14 N4 O
• Calculated formula: C12 H14 N4 O
• SMILES: CC(=NN=C1N(C)C(=O)c2ccccc2N1)C
• Title of publication: 2-(Isopropylidenehydrazono)-3-methyl-2,3-dihydroquinazolin-4(1<i>H</i>)-one
• Authors of publication: Kamali, Ahmad; Sheikhshoaie, Iran; Sharif, Mahboubeh A.; Khavasi, Hamid Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3612 - o3612
• a: 17.042 ± 0.005 Å
• b: 7.6443 ± 0.0019 Å
• c: 18.228 ± 0.005 Å
• α: 90°
• β: 93.36 ± 0.02°
• γ: 90°
• Cell volume: 2370.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes