Information card for entry 2311233

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>'-[(<i>E</i>)-2-chlorobenzylidene]benzohydrazide monohydrate
• Formula: C14 H12 Cl2 N2 O2
• Calculated formula: C14 H12 Cl2 N2 O2
• SMILES: Clc1ccc(cc1)C(=O)N/N=C/c1c(Cl)cccc1.O
• Title of publication: 4-Chloro-N'-[(E)-2-chloro-benzyl-idene]benzohydrazide monohydrate.
• Authors of publication: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Potgieter, Herman; Albayati, Mustafa R.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 5
• Pages of publication: o612
• a: 4.616 ± 0.0005 Å
• b: 12.8664 ± 0.0015 Å
• c: 23.681 ± 0.003 Å
• α: 90°
• β: 92.676 ± 0.0017°
• γ: 90°
• Cell volume: 1404.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No