Information card for entry 2023571

Structure parameters

• Chemical name: Aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis[3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanoato-κ<i>O</i>]zinc(II) monohydrate
• Formula: C32 H28 N4 O8 S2 Zn
• Calculated formula: C32 H28 N4 O8 S2 Zn
• Title of publication: Crystal structure and Hirshfeld surface analysis of aqua(1,10-phenanthroline-κ2 N,N′)bis[3-(2-sulfanylidene-2,3-dihydro-1,3-benzoxazol-3-yl)propanoato-κO]zinc(II) monohydrate
• Authors of publication: Mamadaliyeva, Zoxida Rasuljon qizi; Sattarov, Tulqinjon Abdusattor ogli; Choriyev, Odil Irgashevich; Qadirov, Jalil Tulqin ogli; Ashurov, Jamshid Mengnorovich
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 10
• a: 6.9071 ± 0.0003 Å
• b: 14.8406 ± 0.0007 Å
• c: 16.3048 ± 0.0007 Å
• α: 110.602 ± 0.004°
• β: 94.604 ± 0.003°
• γ: 90.039 ± 0.004°
• Cell volume: 1558.65 ± 0.13 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No