Information card for entry 7129022

Structure parameters

• Chemical name: 4-methoxy-N,N',N'-trimethylbenzohydrazide
• Formula: C11 H16 N2 O2
• Calculated formula: C11 H16 N2 O2
• SMILES: O(c1ccc(cc1)C(=O)N(N(C)C)C)C
• Title of publication: n_N → π*_Ar interactions stabilize the <i>E</i>-ac isomers of arylhydrazides and facilitate their S_NAr autocyclizations.
• Authors of publication: Deka, Jugal Kishore Rai; Kalita, Debajit; Sahariah, Biswajit; Sarma, Bani Kanta
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 85
• Pages of publication: 11236 - 11239
• a: 9.779 ± 0.003 Å
• b: 12.795 ± 0.004 Å
• c: 10.02 ± 0.003 Å
• α: 90°
• β: 116.776 ± 0.01°
• γ: 90°
• Cell volume: 1119.3 ± 0.6 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No