Information card for entry 2229002

Structure parameters

• Chemical name: 3-Hydroxy-<i>N</i>'-[(<i>E</i>)-2-thienylmethylidene]-2-naphthohydrazide
• Formula: C16 H12 N2 O2 S
• Calculated formula: C16 H12 N2 O2 S
• SMILES: O=C(c1cc2ccccc2cc1O)N/N=C/c1cccs1
• Title of publication: 3-Hydroxy-<i>N</i>'-[(<i>E</i>)-2-thienylmethylidene]-2-naphthohydrazide
• Authors of publication: Wu, Qingkun; Yin, Handong; Wang, Daqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o277
• a: 19.8191 ± 0.0016 Å
• b: 6.2487 ± 0.0005 Å
• c: 33.947 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4204.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1356
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes