Information card for entry 8105149

Structure parameters

• Formula: C17 H15 I N2 O
• Calculated formula: C17 H15 I N2 O
• SMILES: Ic1cc2c(=O)n(c(nc2cc1)CCC)c1ccccc1
• Title of publication: Crystal structure of 6-iodo-3-phenyl-2-propylquinazolin-4(3H)-one, C17H15IN2O
• Authors of publication: El-Azab, Adel S.; Ghabbour, Hazem A.; Abdel-Aziz, Alaa A.-M.; Alkahtani, Hamad M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 2
• Pages of publication: 489 - 491
• a: 23.6958 ± 0.0012 Å
• b: 5.5334 ± 0.0002 Å
• c: 15.9712 ± 0.0009 Å
• α: 90°
• β: 132.329 ± 0.003°
• γ: 90°
• Cell volume: 1548.16 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No