Information card for entry 7251732

Structure parameters

• Formula: C13 H11 N3 O2
• Calculated formula: C13 H11 N3 O2
• Title of publication: Selective detection of Cu²⁺ in aqueous medium using an acid hydrazide-based chemosensor: experimental and DFT/TDDFT studies.
• Authors of publication: Gim, Joardar; Kowser, Zannatul; Debnath, Dipa; Prieety, Redika Sarmin; Jahan, Miss Tasnim; Waddell, Paul G.; Khatun, Most Tahera; Munni, Sahara Khatun; Khan, Md Rashed; Islam, Rashedul
• Journal of publication: RSC advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 4473 - 4485
• a: 11.9663 ± 0.0002 Å
• b: 7.5014 ± 0.0001 Å
• c: 25.5657 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2294.88 ± 0.06 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No