Information card for entry 1543086

Structure parameters

• Chemical name: (4<i>Z</i>)-1-[(<i>E</i>)-(4-Methoxybenzylidene)amino]-2-phenyl-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one
• Formula: C22 H17 N3 O2 S
• Calculated formula: C22 H17 N3 O2 S
• SMILES: s1c(/C=C2\N=C(c3ccccc3)N(C2=O)/N=C/c2ccc(OC)cc2)ccc1
• Title of publication: (4<i>Z</i>)-1-[(<i>E</i>)-(4-Methoxybenzylidene)amino]-2-phenyl-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one
• Authors of publication: Singh, Vikram D.; Kamni; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160566
• a: 20.6796 ± 0.0018 Å
• b: 5.4004 ± 0.0004 Å
• c: 17.2537 ± 0.0016 Å
• α: 90°
• β: 104.299 ± 0.009°
• γ: 90°
• Cell volume: 1867.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0941
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No