Information card for entry 2218539

Structure parameters

• Chemical name: Benzyl 3-[(<i>E</i>,<i>E</i>)-3-phenylprop-2-enylidene]dithiocarbazate
• Formula: C17 H16 N2 S2
• Calculated formula: C17 H16 N2 S2
• SMILES: S(Cc1ccccc1)C(=S)N/N=C/C=C/c1ccccc1
• Title of publication: Benzyl 3-[(<i>E</i>,<i>E</i>)-3-phenylprop-2-enylidene]dithiocarbazate
• Authors of publication: Tarafder, M. T. H.; Crouse, K. A.; Islam, M. Toihidul; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1042 - o1043
• a: 5.435 ± 0.0003 Å
• b: 11.6333 ± 0.0007 Å
• c: 13.6289 ± 0.0008 Å
• α: 66.869 ± 0.004°
• β: 82.723 ± 0.004°
• γ: 87.52 ± 0.004°
• Cell volume: 786.04 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes