Information card for entry 2220366

Structure parameters

• Chemical name: 4-(Dimethylamino)benzaldehyde 4-ethylthiosemicarbazone
• Formula: C12 H18 N4 S
• Calculated formula: C12 H18 N4 S
• SMILES: CCNC(=S)N/N=C/c1ccc(cc1)N(C)C
• Title of publication: 4-(Dimethylamino)benzaldehyde 4-ethylthiosemicarbazone
• Authors of publication: Salhin, Abdussalam; Razak, Norfarhah Abdul; Rahman, I. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2353
• a: 9.3687 ± 0.0002 Å
• b: 14.1872 ± 0.0003 Å
• c: 10.2318 ± 0.0002 Å
• α: 90°
• β: 96.699 ± 0.001°
• γ: 90°
• Cell volume: 1350.68 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• 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: 0.041
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes