Information card for entry 2312958

Structure parameters

• Chemical name: 2-[2-(4-Nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]-3-phenylpropanoic acid monohydrate
• Formula: C30 H25 N3 O5
• Calculated formula: C30 H25 N3 O5
• Title of publication: Water-bridged tetrameric supramolecular synthons in a novel tetrasubstituted imidazole-phenylalanine derivative synthesized via a Debus-Radziszewski reaction.
• Authors of publication: Ferrer, Armando; Mederos, Yonatan; Luis, Santiago V.; Esteve, Ferran; Altava, Belen; García, América; Cunha, Silvio
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 9
• Pages of publication: 588 - 594
• a: 9.587 ± 0.0001 Å
• b: 10.2275 ± 0.0001 Å
• c: 15.3339 ± 0.0002 Å
• α: 91.118 ± 0.001°
• β: 107.352 ± 0.001°
• γ: 115.935 ± 0.001°
• Cell volume: 1270.71 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes