Information card for entry 7059651

Structure parameters

• Formula: C14 H12 N4 O3
• Calculated formula: C14 H12 N4 O3
• SMILES: c1(ccc(cc1)/C(=N/NC(=O)N)c1ccccc1)N(=O)=O
• Title of publication: New silver (thio)semicarbazide derivatives: synthesis, structural features, and antimicrobial activity
• Authors of publication: Fernandes, Tiago A.; André, Vânia; Arol, Aliaksandr S.; França, Ângela; Mikhalyonok, Sergei; Cerca, Nuno; Kirillov, Alexander M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 10924 - 10932
• a: 15.574 ± 0.0015 Å
• b: 10.7264 ± 0.0011 Å
• c: 8.1105 ± 0.0008 Å
• α: 90°
• β: 96.563 ± 0.005°
• γ: 90°
• Cell volume: 1346 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0624
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No