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Crystal structure and Hirshfeld surface analysis of ethyl 6'-amino-2'-(chloro-meth-yl)-5'-cyano-2-oxo-1,2-di-hydro-spiro-[indoline-3,4'-pyran]-3'-carboxyl-ate.

ABSTRACT: The mol-ecular conformation of the title compound, C17H14ClN3O4, is stabilized by an intra-molecular C-H⋯O contact, forming an S(6) ring motif. In the crystal, the mol-ecules 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 inter-molecular C-H⋯N hydrogen bonds. There are weak van der Waals inter-actions 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%) inter-actions, as concluded from a Hirshfeld surface analysis.

SUBMITTER: Naghiyev FN 

PROVIDER: S-EPMC8382051 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of ethyl 6'-amino-2'-(chloro-meth-yl)-5'-cyano-2-oxo-1,2-di-hydro-spiro-[indoline-3,4'-pyran]-3'-carboxyl-ate.

Naghiyev Farid N FN   Grishina Maria M MM   Khrustalev Victor N VN   Akkurt Mehmet M   Huseynova Afet T AT   Akobirshoeva Anzurat A AA   Mamedov İbrahim G İG  

Acta crystallographica. Section E, Crystallographic communications 20210625 Pt 7

The mol-ecular conformation of the title compound, C<sub>17</sub>H<sub>14</sub>ClN<sub>3</sub>O<sub>4</sub>, is stabilized by an intra-molecular C-H⋯O contact, forming an <i>S</i>(6) ring motif. In the crystal, the mol-ecules are connected by N-H⋯O hydrogen-bond pairs along the <i>b-</i>axis direction as dimers with <i>R</i> <sup>2</sup> <sub>2</sub>(8) and <i>R</i> <sup>2</sup> <sub>2</sub>(14) ring motifs and as ribbons formed by inter-molecular C-H⋯N hydrogen bonds. There are weak van der Waa  ...[more]

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