Information card for entry 2311174

Structure parameters

• Chemical name: (<i>E</i>)-2-(4-Isobutylphenyl)-<i>N</i>'-[1-(4-nitrophenyl)ethylidene]propanohydrazide
• Formula: C21 H25 N3 O3
• Calculated formula: C21 H25 N3 O3
• SMILES: O=C(N/N=C(\C)c1cccc(N(=O)=O)c1)C(c1ccc(CC(C)C)cc1)C
• Title of publication: A triclinic polymorph of (E)-2-(4-iso-butyl-phen-yl)-N'-[1-(4-nitro-phen-yl)ethyl-idene]propano-hydrazide.
• Authors of publication: Manjunath, B. C.; Madan Kumar, S.; Vinayaka, A. C.; Jayasheelan, S.; Sadashiva, M. P.; Lokanath, N. K.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 8
• Pages of publication: o1333
• a: 12.201 ± 0.005 Å
• b: 13.429 ± 0.005 Å
• c: 13.932 ± 0.005 Å
• α: 90.47 ± 0.007°
• β: 110.099 ± 0.006°
• γ: 107.321 ± 0.006°
• Cell volume: 2030.9 ± 1.3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.1356
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1934
• 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