Information card for entry 2238166

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-4-Bromobenzylidene]pyrazine-2-carbohydrazide
• Formula: C12 H9 Br N4 O
• Calculated formula: C12 H9 Br N4 O
• SMILES: Brc1ccc(cc1)/C=N/NC(=O)c1cnccn1
• Title of publication: <i>N</i>'-[(<i>E</i>)-4-Bromobenzylidene]pyrazine-2-carbohydrazide
• Authors of publication: Hameed, Shahid; Ahmad, Mushtaq; Tahir, M. Nawaz; Shah, Muhammad Abdullah; Shad, Hazoor Ahmad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1141
• a: 5.8947 ± 0.0009 Å
• b: 7.6941 ± 0.0012 Å
• c: 14.029 ± 0.002 Å
• α: 83.273 ± 0.007°
• β: 80.086 ± 0.007°
• γ: 72.44 ± 0.006°
• Cell volume: 596.13 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes