Information card for entry 2220747

Structure parameters

• Chemical name: (<i>E</i>)-1-[4-(Dimethylamino)benzylidene]thiosemicarbazide
• Formula: C10 H14 N4 S
• Calculated formula: C10 H14 N4 S
• SMILES: N(/N=C/c1ccc(N(C)C)cc1)C(=S)N
• Title of publication: (<i>E</i>)-1-[4-(Dimethylamino)benzylidene]thiosemicarbazide
• Authors of publication: Sun, Yuying; Fu, Shizhou; Zhang, Junhong; Wang, Xiao; Wang, Daqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o237
• a: 5.6984 ± 0.0013 Å
• b: 8.9493 ± 0.0014 Å
• c: 22.813 ± 0.002 Å
• α: 90°
• β: 93.86 ± 0.002°
• γ: 90°
• Cell volume: 1160.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes