Information card for entry 2241511

Structure parameters

• Chemical name: (<i>Z</i>)-4-Methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate
• Formula: C17 H19 N3 S2
• Calculated formula: C17 H19 N3 S2
• SMILES: S(C(=S)N/N=C(C)\c1ncc(C)cc1)Cc1ccc(C)cc1
• Title of publication: Crystal structure of (<i>Z</i>)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate
• Authors of publication: Ravoof, Thahira Begum S. A.; Tiekink, Edward R. T.; Omar, Siti Aminah; Begum, Sharifa Zaithun; Tahir, Mohamed I. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1071 - o1072
• a: 9.0073 ± 0.0002 Å
• b: 12.3856 ± 0.0002 Å
• c: 7.5553 ± 0.0001 Å
• α: 90°
• β: 98.62 ± 0.002°
• γ: 90°
• Cell volume: 833.35 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes