Information card for entry 2238551

Structure parameters

• Chemical name: 2,6-Difluoro-<i>N</i>-(prop-2-ynyl)benzamide
• Formula: C10 H7 F2 N O
• Calculated formula: C10 H7 F2 N O
• SMILES: C#CCNC(=O)c1c(F)cccc1F
• Title of publication: 2,6-Difluoro-<i>N</i>-(prop-2-ynyl)benzamide
• Authors of publication: Hussain, Zahid; Hussain, Ejaz; Siddiqui, Hina; Choudhary, M. Iqbal; Yousuf, Sammer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1440
• a: 5.0479 ± 0.0008 Å
• b: 19.738 ± 0.003 Å
• c: 9.2428 ± 0.0015 Å
• α: 90°
• β: 91.432 ± 0.004°
• γ: 90°
• Cell volume: 920.6 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes