Information card for entry 2312147

Structure parameters

• Chemical name: Pyrazine-2-carboxamide; 2-(carboxymethyl)benzoic acid
• Formula: C14 H13 N3 O5
• Calculated formula: C14 H13 N3 O5
• Title of publication: New cocrystals of heterocyclic drugs: structural, antileishmanial, larvicidal and urease inhibition studies.
• Authors of publication: Murtaza, Ghulam; Khan, Majid; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 6
• Pages of publication: 237 - 248
• a: 15.3082 ± 0.0009 Å
• b: 5.202 ± 0.0003 Å
• c: 18.6832 ± 0.0011 Å
• α: 90°
• β: 112.809 ± 0.002°
• γ: 90°
• Cell volume: 1371.46 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.2124
• Weighted residual factors for all reflections included in the refinement: 0.2249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes