Information card for entry 2216017

Structure parameters

• Chemical name: (Z)-2-[2-(Cyanoimino)-1,3-thiazolidin-1-yl]-1,3-diphenylprop-2-en-1-one
• Formula: C19 H15 N3 O S
• Calculated formula: C19 H15 N3 O S
• SMILES: S1CCN(C(=C/c2ccccc2)\C(=O)c2ccccc2)/C1=N/C#N
• Title of publication: (<i>Z</i>)-2-[2-(Cyanoimino)-1,3-thiazolidin-1-yl]-1,3-diphenylprop-2-en-1-one
• Authors of publication: Dai, Hong; Zhang, Xin; Qin, Xue; Qin, Zheng-Fang; Fang, Jian-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4283 - o4283
• a: 9.927 ± 0.004 Å
• b: 8.389 ± 0.004 Å
• c: 10.883 ± 0.005 Å
• α: 90°
• β: 112.66 ± 0.008°
• γ: 90°
• Cell volume: 836.3 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes