Information card for entry 2235036

Structure parameters

• Chemical name: (<i>E</i>)-2-Cyano-<i>N</i>'-(1,2,3,4-tetrahydronaphthalen-1- ylidene)acetohydrazide
• Formula: C13 H13 N3 O
• Calculated formula: C13 H13 N3 O
• SMILES: O=C(N/N=C/1CCCc2c1cccc2)CC#N
• Title of publication: (<i>E</i>)-2-Cyano-<i>N</i>'-(1,2,3,4-tetrahydronaphthalen-1-ylidene)acetohydrazide
• Authors of publication: Al-Omar, Mohamed A.; Khalifa, Nagy M.; Ghabbour, Hazem A.; Chia, Tze Shyang; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1740
• a: 7.6414 ± 0.0001 Å
• b: 7.6748 ± 0.0001 Å
• c: 10.5644 ± 0.0002 Å
• α: 109.589 ± 0.001°
• β: 91.405 ± 0.001°
• γ: 93.26 ± 0.001°
• Cell volume: 582.132 ± 0.016 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes