Information card for entry 7134722

Structure parameters

• Formula: C28 H23 N5
• Calculated formula: C28 H23 N5
• Title of publication: Catalyst-free efficient synthesis of functionalized 1,2,4-triazole <i>via</i> ring opening/cyclization of arylidene thiazolone with aryl/alkyl-hydrazine.
• Authors of publication: Kumari, Akanksha; Jain, Anshul; Sharma, Himani; Sermadurai, Selvakumar; Rana, Nirmal K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 59
• Pages of publication: 11029 - 11032
• a: 11.901 ± 0.002 Å
• b: 8.437 ± 0.0015 Å
• c: 23.343 ± 0.005 Å
• α: 90°
• β: 95.41 ± 0.02°
• γ: 90°
• Cell volume: 2333.4 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0593
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No