Information card for entry 2006384

Structure parameters

• Formula: C19 H16 N2 O S
• Calculated formula: C19 H16 N2 O S
• SMILES: s1c(/N=C/c2c(O)ccc3ccccc23)c(c(c1C)CC)C#N
• Title of publication: 4-Ethyl-2-(2-hydroxynaphthylmethylidene)amino-5-methyl-3-thiophenecarbonitrile
• Authors of publication: Elerman, Yalc̨in; Elmali, Ayhan; Kendi̇, Engin; Özbey, Süheyla; Ertüzün, Vedia
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1158 - 1160
• a: 8.362 ± 0.002 Å
• b: 16.727 ± 0.002 Å
• c: 11.554 ± 0.002 Å
• α: 90°
• β: 95.561 ± 0.002°
• γ: 90°
• Cell volume: 1608.5 ± 0.5 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: 0.067
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.118
• Weighted residual factors for significantly intense reflections: 0.111
• Goodness-of-fit parameter for all reflections: 1.122
• Goodness-of-fit parameter for significantly intense reflections: 1.215
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No