Information card for entry 2010700

Structure parameters

• Chemical name: N-[2-(butylamino)-5-nitrophenyl]acetamide
• Formula: C12 H17 N3 O3
• Calculated formula: C12 H17 N3 O3
• SMILES: N(c1c(NCCCC)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: 4.874 ± 0.002 Å
• b: 11.002 ± 0.005 Å
• c: 12.335 ± 0.007 Å
• α: 76.14°
• β: 82.27°
• γ: 86.99°
• Cell volume: 636.2 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.171
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.271
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections: 1.014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No