Crystal structure of a new polymorph of 3-acetyl-8-methoxy-2H-chromen-2-one
| Autor: | Roberto Muñiz-Valencia, Francisco J. Martínez-Martínez, Gabino Gonzalez-Carrillo, Efrén V. García-Báez |
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| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
crystal structure
hydrogen bond 010405 organic chemistry Hydrogen bond Chemistry polymorph Stacking General Chemistry Crystal structure 010402 general chemistry Condensed Matter Physics 3-acetyl-8-methoxy-coumarin 01 natural sciences 3-acetyl-8-methoxy-coumarin coumarin 0104 chemical sciences Research Communications lcsh:Chemistry Crystallography Zigzag lcsh:QD1-999 General Materials Science Chromen-2-one Monoclinic crystal system |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 12, Pp 1866-1870 (2019) Acta Crystallographica Section E: Crystallographic Communications |
| ISSN: | 2056-9890 |
| Popis: | A new polymorphic form of 3-acetyl-8-methoxy-2H-chromen-2-one is described and compared with the previously reported polymorph. In the crystal, hydrogen bonds, π–π interactions and antiparallel C=O⋯C=O interactions give rise to a helical supramolecular architecture A new polymorphic form of the title compound, C12H10O4, is described in the orthorhombic space group Pbca and Z = 8, as compared to polymorph I, which crystallizes in the monoclinic space group C2/c and Z = 8 [Li et al. (2012). Chin. J. Struct. Chem. 31, 1003–1007.]. In polymorph II, the coumarin ring system is almost planar (r.m.s. deviation = 0.00129 Å). In the crystal, molecules are connected by Csp 3—H⋯O and Car—H⋯O hydrogen bonds, forming molecular sheets linked into zigzag shaped layers along the b-axis direction. The three-dimensional lattice is assembled through stacking of the zigzag layers by π–π interactions with a centroid-to-centroid distance of 3.600 (9) Å and antiparallel C=O⋯C=O interactions with a distance of 3.1986 (17) Å, which give rise to a helical supramolecular architecture. |
| Databáze: | OpenAIRE |
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