Information card for entry 1569459

Structure parameters

• Common name: ApN3
• Chemical name: 2-azido-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
• Formula: C13 H14 N6 O2
• Calculated formula: C13 H14 N6 O2
• Title of publication: A Selective Chemosensor via Click Chemistry for Cu2+ and Hg2+ Ions in Organic Media
• Authors of publication: Kumar, Sachin; Lal, Bajrang; Tittal, Ram Kumar; Singh, Gurleen; Singh, Jandeep; Ghule, Vikas; Sharma, Renu; Sabane, Jagjivan K.
• Journal of publication: Sensors & Diagnostics
• Year of publication: 2023
• a: 13.3072 ± 0.0007 Å
• b: 6.9369 ± 0.0003 Å
• c: 15.2738 ± 0.0009 Å
• α: 90°
• β: 106.507 ± 0.002°
• γ: 90°
• Cell volume: 1351.82 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0751
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No