Information card for entry 2243357

Structure parameters

• Chemical name: <i>N</i>'-[4-(Dimethylamino)benzylidene]furan-2-carbohydrazide monohydrate
• Formula: C14 H17 N3 O3
• Calculated formula: C14 H17 N3 O3
• SMILES: O=C(N/N=C/c1ccc(N(C)C)cc1)c1occc1.O
• Title of publication: Crystal structure of <i>N</i>'-[4-(dimethylamino)benzylidene]furan-2-carbohydrazide monohydrate
• Authors of publication: Sylla-Gueye, Rokhaya; Thiam, Ibrahima Elhadji; Orton, James; Coles, Simon; Gaye, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• Pages of publication: 660 - 663
• a: 12.9328 ± 0.0005 Å
• b: 11.2551 ± 0.0004 Å
• c: 9.8092 ± 0.0003 Å
• α: 90°
• β: 106.245 ± 0.004°
• γ: 90°
• Cell volume: 1370.82 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• 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: 0.0553
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes