Information card for entry 7250113

Structure parameters

• Chemical name: EG-2MIE
• Formula: C13 H16 N2 O5
• Calculated formula: C13 H16 N2 O5
• Title of publication: Improvement of humidity stability of ethyl gallate by the cocrystal strategy and study of dissolution behavior of the cocrystal
• Authors of publication: Pan, Ziqi; Zhang, Menglong; Hou, Xinyu; Yang, Huiwen; Rong, Hua; Song, Haibin; Zhang, Yong; Chen, Wei; Wu, Songgu
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 2577 - 2590
• a: 8.5168 ± 0.0001 Å
• b: 11.751 ± 0.0002 Å
• c: 14.3094 ± 0.0003 Å
• α: 110.381 ± 0.002°
• β: 91.88 ± 0.002°
• γ: 94.517 ± 0.002°
• Cell volume: 1335.49 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No