Information card for entry 2238466

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-2-Chlorobenzylidene]thiophene-2-carbohydrazide
• Formula: C12 H9 Cl N2 O S
• Calculated formula: C12 H9 Cl N2 O S
• SMILES: O=C(c1cccs1)N/N=C/c1ccccc1Cl
• Title of publication: <i>N</i>'-[(<i>E</i>)-2-Chlorobenzylidene]thiophene-2-carbohydrazide
• Authors of publication: Warad, Ismail; Haddad, Salim F.; Al-Noaimi, Mousa; Hammouti, Belkheir; Ben Hadda, Taibi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1442
• a: 24.9465 ± 0.0015 Å
• b: 4.3709 ± 0.0003 Å
• c: 21.8091 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2378 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes