Information card for entry 2312850

Structure parameters

• Chemical name: Methyl 2-{2-[(<i>E</i>)-2-oxo-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}benzoate
• Formula: C18 H14 N2 O3
• Calculated formula: C18 H14 N2 O3
• SMILES: O=C1C(=N\Nc2c(C(=O)OC)cccc2)/c2c(C=C1)cccc2
• Title of publication: Synthesis, crystal structure, Hirshfeld surface analysis and experimental and theoretical study of new azo compound methyl 2-{2-[(E)-2-oxo-1,2-dihydronaphthalen-1-ylidene]hydrazin-1-yl}benzoate.
• Authors of publication: Chetioui, Souheyla; Khelloul, Nawel; Boukabcha, Nourdine; Benhalima, Nadia; Smati, Sabrina; Drim, Khaled; Chouaih, Abdelkader
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 6
• a: 11.2 ± 0.006 Å
• b: 16.244 ± 0.01 Å
• c: 8.058 ± 0.005 Å
• α: 90°
• β: 93.138 ± 0.019°
• γ: 90°
• Cell volume: 1463.8 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1036
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes