Information card for entry 2237134

Structure parameters

• Chemical name: (<i>E</i>)-2-(4-Chlorophenoxy)-<i>N</i>'-(pyridin-4-ylmethylidene)acetohydrazide
• Formula: C14 H12 Cl N3 O2
• Calculated formula: C14 H12 Cl N3 O2
• SMILES: C(=O)(COc1ccc(cc1)Cl)N/N=C/c1ccncc1
• Title of publication: (<i>E</i>)-2-(4-Chlorophenoxy)-<i>N</i>'-(pyridin-4-ylmethylidene)acetohydrazide
• Authors of publication: Rao, Xiao-jin; Wu, Wen-Shi; Li, Chuan-hui; Huang, Yu-min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o28
• a: 13.059 ± 0.004 Å
• b: 5.3567 ± 0.0016 Å
• c: 19.175 ± 0.006 Å
• α: 90°
• β: 104.586 ± 0.005°
• γ: 90°
• Cell volume: 1298.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes