Information card for entry 2226868

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-(1-Methyl-1<i>H</i>-pyrrol-2-yl)methylidene]benzohydrazide benzohydrazide
• Formula: C13 H13 N3 O
• Calculated formula: C13 H13 N3 O
• SMILES: O=C(NN=Cc1n(ccc1)C)c1ccccc1
• Title of publication: <i>N</i>'-[(<i>E</i>)-(1-Methyl-1<i>H</i>-pyrrol-2-yl)methylidene]benzohydrazide
• Authors of publication: Hussain, Abid; Shafiq, Zahid; Tahir, M. Nawaz; Yaqub, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1888
• a: 11.117 ± 0.0008 Å
• b: 11.6329 ± 0.0009 Å
• c: 9.6735 ± 0.0006 Å
• α: 90°
• β: 110.241 ± 0.003°
• γ: 90°
• Cell volume: 1173.75 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes