Information card for entry 8106435

Structure parameters

• Formula: C13 H14 N2 O3 S
• Calculated formula: C13 H14 N2 O3 S
• Title of publication: Crystal structure of N′-(2-phenylacetyl)thiophene-2-carbohydrazide monohydrate, C13H14N2O3S
• Authors of publication: El-Faham, Ayman; El-Merghany, Adel; Ghabbour, Hazem A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 69 - 71
• a: 27.991 ± 0.0012 Å
• b: 6.5721 ± 0.0003 Å
• c: 14.2821 ± 0.0007 Å
• α: 90°
• β: 92.6 ± 0.003°
• γ: 90°
• Cell volume: 2624.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No