Information card for entry 7063776

Structure parameters

• Formula: C7 H6 N4 O
• Calculated formula: C7 H6 N4 O
• Title of publication: Anticancer activity: synthesis, characterization and DNA binding of a 1,2,4-triazole-based Zn(ii) complex
• Authors of publication: Gnanadeepam, Yakkobu; Shankar, Bhaskaran; Tamilselvi, Arunachalam
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 8215 - 8224
• a: 5.4928 ± 0.0001 Å
• b: 9.4925 ± 0.0003 Å
• c: 14.3453 ± 0.0005 Å
• α: 90°
• β: 98.819 ± 0.003°
• γ: 90°
• Cell volume: 739.13 ± 0.04 ų
• Cell temperature: 298.69 ± 0.18 K
• Ambient diffraction temperature: 298.69 ± 0.18 K
• Number of distinct elements: 4
• 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: 0.0471
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No