Information card for entry 7056023

Structure parameters

• Formula: C14 H10 N2 O Se
• Calculated formula: C14 H10 N2 O Se
• SMILES: [Se](c1ccccc1)c1nc2n(c1C=O)cccc2
• Title of publication: Insights into selenylation of imidazo[1,2-a]pyridine: synthesis, structural and antimicrobial evaluation
• Authors of publication: Kumar, Sanjeev; Sharma, Nidhi; Maurya, Indresh K.; Verma, Ajay; Kumar, Sangit; Bhasin, K. K.; Sharma, Rohit K.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2919
• a: 5.539 ± 0.0004 Å
• b: 8.1345 ± 0.0006 Å
• c: 13.8742 ± 0.0009 Å
• α: 94.771 ± 0.003°
• β: 98.816 ± 0.004°
• γ: 93.294 ± 0.004°
• Cell volume: 614.04 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No