Information card for entry 8105807

Structure parameters

• Chemical name: 3-(1H-benzo[d]imidazol-2-yl)-7-chloro-1-cyclopropyl-6-fluoroquinolin-4(1H)-one DMSO
• Formula: C21 H19 Cl F N3 O2 S
• Calculated formula: C21 H19 Cl F N3 O2 S
• Title of publication: The crystal structure of 3-(1H-benzo[d]imidazol-2-yl)-7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydroquinolin — dimethylsulfoxide (1/1), C21H19ClFN3O2S
• Authors of publication: Rasras, Anas J.; Sinnokrot, Mutasem; AlDamen, Murad A.; Khanfar, Monther A.; Al-Qawasmeh, Raed A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 645 - 647
• a: 10.1495 ± 0.0004 Å
• b: 8.9769 ± 0.0005 Å
• c: 22.1431 ± 0.001 Å
• α: 90°
• β: 99.901 ± 0.004°
• γ: 90°
• Cell volume: 1987.43 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0595
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No