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The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(methoxycarbonyl)-3,6-bis(methoxymethoxy)phenyl]acetic acid
In the title compound, C(14)H(18)O(8), (I), the methoxycarbonyl [–C(=O)OCH(3)] and the acetic acid [–CH(2)C(=O)OH] groups are inclined to the benzene ring by 79.24 (11) and 76.71 (13)°, respectively, and are normal to each other with a dihedral angle of 90.00 (13)°. In the crystal, molecules are...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7336770/ https://www.ncbi.nlm.nih.gov/pubmed/32695460 http://dx.doi.org/10.1107/S2056989020007987 |
Sumario: | In the title compound, C(14)H(18)O(8), (I), the methoxycarbonyl [–C(=O)OCH(3)] and the acetic acid [–CH(2)C(=O)OH] groups are inclined to the benzene ring by 79.24 (11) and 76.71 (13)°, respectively, and are normal to each other with a dihedral angle of 90.00 (13)°. In the crystal, molecules are linked by a pair of O—H⋯O hydrogen bonds forming the familiar acetic acid inversion dimer. The dimers are linked by two C—H⋯O hydrogen bonds and an offset π–π interaction [intercentroid distance = 3.6405 (14) Å], forming layers lying parallel to the (10[Image: see text]) plane. The layers are linked by a third C—H⋯O hydrogen bond and a C—H⋯π interaction to form a supramolecular framework. |
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