Information card for entry 2239880

Structure parameters

• Chemical name: (<i>Z</i>)-1-(3,4-Dichlorophenyl)-3-methyl-4-[(naphthalen-1-ylamino)(<i>p</i>-tolyl)methylidene]-1<i>H</i>-pyrrol-5(4<i>H</i>)-one
• Formula: C28 H21 Cl2 N3 O
• Calculated formula: C28 H21 Cl2 N3 O
• SMILES: N1(N=C(/C(C1=O)=C(/Nc1cccc2c1cccc2)c1ccc(cc1)C)C)c1ccc(Cl)c(Cl)c1
• Title of publication: Crystal structure of (<i>Z</i>)-1-(3,4-dichlorophenyl)-3-methyl-4-[(naphthalen-1-ylamino)(<i>p</i>-tolyl)methylidene]-1<i>H</i>-pyrrol-5(4<i>H</i>)-one
• Authors of publication: Sharma, Naresh; Parihar, Sanjay; Jadeja, R.N.; Kant, Rajni; Gupta, Vivek K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o955 - o956
• a: 11.4621 ± 0.0008 Å
• b: 16.9351 ± 0.0011 Å
• c: 12.2704 ± 0.0009 Å
• α: 90°
• β: 97.478 ± 0.006°
• γ: 90°
• Cell volume: 2361.6 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes