Information card for entry 7245204

Structure parameters

• Formula: C15 H17 Cl N2 O
• Calculated formula: C15 H17 Cl N2 O
• Title of publication: Base-promoted direct amidation of esters: beyond the current scope and practical applications
• Authors of publication: Slavchev, Ivaylo; Ward, Jas. S.; Rissanen, Kari; Dobrikov, Georgi M.; Simeonov, Svilen
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 32
• Pages of publication: 20555 - 20562
• a: 4.8798 ± 0.0003 Å
• b: 17.8602 ± 0.0009 Å
• c: 15.7045 ± 0.0008 Å
• α: 90°
• β: 90.206 ± 0.003°
• γ: 90°
• Cell volume: 1368.7 ± 0.13 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• 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: 0.1287
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No