Information card for entry 7227256

Structure parameters

• Formula: C13 H11 N3 Se
• Calculated formula: C13 H11 N3 Se
• SMILES: [Se](c1ccccc1)Cc1nc2n(c1)cccn2
• Title of publication: Synthesis, structural analysis, antimicrobial evaluation and synergistic studies of imidazo[1,2-a]pyrimidine chalcogenides
• Authors of publication: Sharma, Nidhi; Kumar, Sanjeev; Maurya, Indresh K.; Bhasin, K. K.; Verma, Ajay; Wangoo, Nishima; Bhasin, Aman K. K.; Mehta, S. K.; Kumar, Sangit; Sharma, Rohit K.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 115
• Pages of publication: 114224
• a: 31.935 ± 0.002 Å
• b: 31.935 ± 0.002 Å
• c: 6.3894 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5643.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No