Information card for entry 2204295

Structure parameters

• Chemical name: {3-[4-(N,N-Dimethylamino)phenyl]-1-(4-methylphenyl)- 3-(phenylsulfanyl)propylidene}semicarbazide
• Formula: C25 H28 N4 O S
• Calculated formula: C25 H28 N4 O S
• SMILES: S(C(C/C(=N\NC(=O)N)c1ccc(C)cc1)c1ccc(N(C)C)cc1)c1ccccc1
• Title of publication: {3-[4-(<i>N,N</i>-Dimethylamino)phenyl]-1-(4-methylphenyl)-3-(phenylsulfanyl)propylidene}semicarbazide
• Authors of publication: Sivaperuman Saravanan; Shanmugam Muthusubramanian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1895 - o1897
• a: 6.804 ± 0.005 Å
• b: 10.531 ± 0.004 Å
• c: 17.278 ± 0.005 Å
• α: 88.96 ± 0.05°
• β: 79.24 ± 0.03°
• γ: 73.51 ± 0.02°
• Cell volume: 1165.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No