Information card for entry 2222989

Structure parameters

• Chemical name: Diethyl 2-(2-nitrobenzylidene)malonate
• Formula: C14 H15 N O6
• Calculated formula: C14 H15 N O6
• SMILES: c1(ccccc1/C=C(/C(=O)OCC)C(=O)OCC)N(=O)=O
• Title of publication: Diethyl 2-(2-nitrobenzylidene)malonate
• Authors of publication: Thenmozhi, S.; Ranjith, S.; SubbiahPandi, A.; Dhayalan, V.; MohanaKrishnan, A. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2209
• a: 7.841 ± 0.0002 Å
• b: 8.5571 ± 0.0002 Å
• c: 12.3533 ± 0.0004 Å
• α: 80.866 ± 0.002°
• β: 75.037 ± 0.001°
• γ: 64.402 ± 0.001°
• Cell volume: 721.1 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0646
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes