Information card for entry 2227616

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-(5-chloro-2-thienyl)methylidene]ethane- 1,2-diamine
• Formula: C12 H10 Cl2 N2 S2
• Calculated formula: C12 H10 Cl2 N2 S2
• SMILES: Clc1ccc(s1)/C=N/CC/N=C/c1ccc(s1)Cl
• Title of publication: <i>N</i>,<i>N</i>'-Bis[(<i>E</i>)-(5-chloro-2-thienyl)methylidene]ethane-1,2-diamine
• Authors of publication: Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2883
• a: 14.682 ± 0.002 Å
• b: 4.7016 ± 0.0007 Å
• c: 10.6607 ± 0.0015 Å
• α: 90°
• β: 109.439 ± 0.002°
• γ: 90°
• Cell volume: 693.95 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.052
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes