Information card for entry 8101718

Structure parameters

• Chemical name: 5-phenylmethylidene-3-(2'-fluorobenzyl)-2-thio-4-imidazolidinone
• Formula: C17 H13 F N2 O S
• Calculated formula: C17 H13 F N2 O S
• Title of publication: Crystal structure of 5-phenylmethylidene-3-(2'-fluorobenzyl)-2-thio- 4-imidazolidinone, C~17~H~13~FN~2~OS
• Authors of publication: F.-L. Yang; S.-J. Cao; Z.-J. Liu; M.-W. Ding
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 1
• Pages of publication: 119 - 120
• a: 6.465 ± 0.003 Å
• b: 10.658 ± 0.004 Å
• c: 11.08 ± 0.004 Å
• α: 85.153 ± 0.006°
• β: 78.525 ± 0.006°
• γ: 79.65 ± 0.006°
• Cell volume: 735.1 ± 0.5 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 significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No