Information card for entry 2218807

Structure parameters

• Chemical name: (<i>E</i>)-2-Acetylpyrazine 4-nitrophenylhydrazone
• Formula: C12 H11 N5 O2
• Calculated formula: C12 H11 N5 O2
• SMILES: N(=O)(=O)c1ccc(N\N=C(C)\c2nccnc2)cc1
• Title of publication: (<i>E</i>)-2-Acetylpyrazine 4-nitrophenylhydrazone
• Authors of publication: Shan, Shang; Tian, Yu-Liang; Wang, Shan-Heng; Wang, Wen-Long; Xu, Ying-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1265
• a: 8.0101 ± 0.0006 Å
• b: 12.5154 ± 0.0011 Å
• c: 12.1506 ± 0.0012 Å
• α: 90°
• β: 98.564 ± 0.002°
• γ: 90°
• Cell volume: 1204.51 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0974
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes