Information card for entry 2238731

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-3-Bromobenzylidene]pyrazine-2-carbohydrazide
• Formula: C12 H9 Br N4 O
• Calculated formula: C12 H9 Br N4 O
• SMILES: Brc1cccc(c1)/C=N/NC(=O)c1cnccn1
• Title of publication: <i>N</i>'-[(<i>E</i>)-3-Bromobenzylidene]pyrazine-2-carbohydrazide
• Authors of publication: Ahmad, Mushtaq; Hameed, Shahid; Tahir, M. Nawaz; Anwar, Muhammad; Israr, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1635
• a: 14.4115 ± 0.0008 Å
• b: 6.2128 ± 0.0003 Å
• c: 27.5992 ± 0.0015 Å
• α: 90°
• β: 104.379 ± 0.002°
• γ: 90°
• Cell volume: 2393.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No