Information card for entry 2223530

Structure parameters

• Chemical name: <i>N</i>^1^,<i>N</i>^4^-Bis(2-thienylmethylene)cyclohexane-1,4-diamine
• Formula: C16 H18 N2 S2
• Calculated formula: C16 H18 N2 S2
• SMILES: c1csc(c1)/C=N/[C@@H]1CC[C@H](CC1)/N=C/c1cccs1
• Title of publication: <i>N</i>^1^,<i>N</i>^4^-Bis(2-thienylmethylene)cyclohexane-1,4-diamine
• Authors of publication: Lee, Kyung-Eun; Lee, Soon W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2382
• a: 6.2173 ± 0.0004 Å
• b: 7.4999 ± 0.0005 Å
• c: 17.1289 ± 0.0012 Å
• α: 90°
• β: 97.047 ± 0.003°
• γ: 90°
• Cell volume: 792.67 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes