Information card for entry 2203909

Structure parameters

• Formula: C13 H19 Cl N2 O2
• Calculated formula: C13 H19 Cl N2 O2
• SMILES: [Cl-].O=C(N[NH2+]C(CC(=O)C)(C)C)c1ccccc1
• Title of publication: <i>N</i>-Benzoyl-<i>N</i>'-(1,1-dimethyl-3-oxobutyl)hydrazine hydrochloride
• Authors of publication: Ton, Quoc Cuong; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1129 - o1130
• a: 7.087 ± 0.001 Å
• b: 21.023 ± 0.002 Å
• c: 10.019 ± 0.001 Å
• α: 90°
• β: 99.042 ± 0.009°
• γ: 90°
• Cell volume: 1474.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0434
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes