Information card for entry 8103169

Structure parameters

• Chemical name: N'-(thiophen-2-ylmethylene)furan-2-carbohydrazide
• Formula: C10 H8 N2 O2 S
• Calculated formula: C10 H8 N2 O2 S
• SMILES: s1c(C=NNC(=O)c2occc2)ccc1
• Title of publication: Crystal structure of N'-(2-thienylmethylene)-furan-2-carbohydrazide, C10H8N2O2S
• Authors of publication: Heng-Yu Qian; Quan-Ling Wang; Zhi-Gang Yin; Chun-Xia Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 419
• a: 11.9394 ± 0.0005 Å
• b: 7.6572 ± 0.0003 Å
• c: 22.4747 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2054.69 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No