Information card for entry 2010699

Structure parameters

• Chemical name: N-[2-(isopropylamino)-5-nitrophenyl]acetamide
• Formula: C11 H15 N3 O3
• Calculated formula: C11 H15 N3 O3
• SMILES: N(c1c(NC(C)C)ccc(N(=O)=O)c1)C(=O)C
• Title of publication: 2-Amino derivatives of 5-nitrophenylacetamide
• Authors of publication: Clark, Ronald D.; Romero, Angela; Borbulevych, Oleg Ya.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Timofeeva, Tatiana V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 336 - 338
• a: 13.408 ± 0.007 Å
• b: 13.277 ± 0.004 Å
• c: 13.577 ± 0.006 Å
• α: 90°
• β: 103.07 ± 0.04°
• γ: 90°
• Cell volume: 2354.3 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes