Information card for entry 7126306

Structure parameters

• Formula: C10 H12 N2 O2
• Calculated formula: C10 H12 N2 O2
• SMILES: O=C(NN(C(=O)C)C)c1ccccc1
• Title of publication: Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.
• Authors of publication: Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 36
• Pages of publication: 4874 - 4877
• a: 8.872 ± 0.0004 Å
• b: 12.3858 ± 0.0007 Å
• c: 9.6316 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1058.39 ± 0.09 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No