Information card for entry 2231814

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-2-Chlorobenzylidene]-2-[(1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide
• Formula: C11 H9 Cl N4 O S2
• Calculated formula: C11 H9 Cl N4 O S2
• SMILES: s1cnnc1SCC(=O)N/N=C/c1c(Cl)cccc1
• Title of publication: <i>N</i>'-[(<i>E</i>)-2-Chlorobenzylidene]-2-[(1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide
• Authors of publication: Mohan, S.; Ananthan, S.; Ramesh, P.; Saravanan, D.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2612
• a: 7.551 ± 0.005 Å
• b: 8.743 ± 0.003 Å
• c: 11.269 ± 0.005 Å
• α: 69.295 ± 0.005°
• β: 87.493 ± 0.004°
• γ: 78.892 ± 0.005°
• Cell volume: 682.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes