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Crystal structure and Hirshfeld surface analysis of ethyl 6′-amino-2′-(chloromethyl)-5′-cyano-2-oxo-1,2-dihydrospiro[indoline-3,4′-pyran]-3′-carboxylate
The molecular conformation of the title compound, C(17)H(14)ClN(3)O(4), is stabilized by an intramolecular C—H⋯O contact, forming an S(6) ring motif. In the crystal, the molecules are connected by N—H⋯O hydrogen-bond pairs along the b-axis direction as dimers with R (2) (2)(8) and R (2) (2)(14) r...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8382051/ https://www.ncbi.nlm.nih.gov/pubmed/34513022 http://dx.doi.org/10.1107/S2056989021006459 |
Sumario: | The molecular conformation of the title compound, C(17)H(14)ClN(3)O(4), is stabilized by an intramolecular C—H⋯O contact, forming an S(6) ring motif. In the crystal, the molecules are connected by N—H⋯O hydrogen-bond pairs along the b-axis direction as dimers with R (2) (2)(8) and R (2) (2)(14) ring motifs and as ribbons formed by intermolecular C—H⋯N hydrogen bonds. There are weak van der Waals interactions between the ribbons. The most important contributions to the surface contacts are from H⋯H (34.9%), O⋯H/H⋯O (19.2%), C⋯H/H⋯C (11.9%), Cl⋯H/H⋯Cl (10.7%) and N⋯H/H⋯N (10.4%) interactions, as concluded from a Hirshfeld surface analysis. |
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