Information card for entry 8107406

Structure parameters

• Formula: C22 H19 Cl F3 N3 O2
• Calculated formula: C22 H19 Cl F3 N3 O2
• Title of publication: Crystal structure of 9-(2-chloroethoxy)-4-(4-methoxy-3-(trifluoromethyl)phenyl)- 5,6-dihydrobenzo[h]quinazolin-2-amine, C22H19ClF3N3O2
• Authors of publication: Li, Rong-Kai; Wang, Chun-Hua; Hou, Gui-Ge; Li, Cheng-Bo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 243 - 245
• a: 9.8138 ± 0.0007 Å
• b: 10.9739 ± 0.0007 Å
• c: 11.6878 ± 0.0009 Å
• α: 62.633 ± 0.007°
• β: 67.095 ± 0.007°
• γ: 68.817 ± 0.006°
• Cell volume: 1003.78 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No