Information card for entry 8105646

Structure parameters

• Formula: C13 H11 N3 O2
• Calculated formula: C13 H11 N3 O2
• SMILES: c1(cc2c(cccc2)o1)C(=N\NC(=O)CC#N)\C
• Title of publication: Crystal structure of N′-(1-(benzofuran-2-yl)ethylidene)-2-cyanoacetohydrazide, C13H11N3O2
• Authors of publication: Alotaibi, Mohammad Hayal; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 361 - 362
• a: 7.889 ± 0.002 Å
• b: 9.367 ± 0.003 Å
• c: 9.63 ± 0.003 Å
• α: 64.82 ± 0.03°
• β: 65.89 ± 0.03°
• γ: 84.57 ± 0.02°
• Cell volume: 585.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No