Information card for entry 1551696

Structure parameters

• Chemical name: 2-(2-Methyl-4-nitro-1H-imidazol-1-yl)-N'- [(1E)-1-phenylethylidene]acetohydrazide
• Formula: C14 H15 N5 O3
• Calculated formula: C14 H15 N5 O3
• SMILES: N(=C(c1ccccc1)\C)\NC(=O)Cn1cc(nc1C)N(=O)=O
• Title of publication: Crystal Structure of 2-(2-Methyl-4-nitro-1H-imidazol-1-yl)-N^|^prime;-[(1E)-1-phenylethylidene]acetohydrazide
• Authors of publication: VINUTHA, N.; FRANK, Priya V.; KALLURAYA, Balakrishna; ANTHAL, Sumati; Rajnikant,; GUPTA, Vivek K.; REVANNASIDDAIAH, D.
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2013
• Journal volume: 29
• Journal issue: 0
• Pages of publication: 9
• a: 10.8689 ± 0.0004 Å
• b: 10.5644 ± 0.0003 Å
• c: 12.9608 ± 0.0004 Å
• α: 90°
• β: 94.606 ± 0.003°
• γ: 90°
• Cell volume: 1483.4 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0691
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No