Information card for entry 2237236

Structure parameters

• Chemical name: 1-[4-({4-[(<i>E</i>)-(2-Hydroxynaphthalen-1- yl)methylideneamino]phenyl}sulfanyl)phenyl]ethanone
• Formula: C25 H19 N O2 S
• Calculated formula: C25 H19 N O2 S
• SMILES: CC(=O)c1ccc(cc1)Sc1ccc(cc1)/N=C/c1c(O)ccc2c1cccc2
• Title of publication: 1-[4-({4-[(<i>E</i>)-(2-Hydroxynaphthalen-1-yl)methylideneamino]phenyl}sulfanyl)phenyl]ethanone
• Authors of publication: Hebbachi, Rabihe; Mousser, Hénia; Mousser, Abdelhamid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o67 - o68
• a: 10.695 ± 0.003 Å
• b: 44.458 ± 0.014 Å
• c: 4.4437 ± 0.0011 Å
• α: 90°
• β: 99.004 ± 0.009°
• γ: 90°
• Cell volume: 2086.8 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes