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

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Naghiyev F. N., Grishina M. M., Khrustalev V. N., AKKURT M., Huseynova A. T., Akobirshoeva A. A., ...More

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.77, pp.739-748, 2021 (ESCI)

• Publication Type: Article / Article
• Volume: 77
• Publication Date: 2021
• Doi Number: 10.1107/s2056989021006459
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.739-748
• Keywords: crystal structure, spirooxindole, dimers, hydrogen bond, Hirshfeld surface analysis, INTERMOLECULAR INTERACTIONS
• Erciyes University Affiliated: Yes

Abstract

The molecular conformation of the title compound, C17H14ClN3O4 , is stabilized by an intramolecular C-H center dot center dot center dot O contact, forming an S(6) ring motif. In the crystal, the molecules are connected by N - H center dot center dot center dot 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 center dot center dot center dot N hydrogen bonds. There are weak van der Waals interactions between the ribbons. The most important contributions to the surface contacts are from H center dot center dot center dot H (34.9%), O center dot center dot center dot H/H center dot center dot center dot O (19.2%), C center dot center dot center dot H/H center dot center dot center dot C (11.9%), Cl center dot center dot center dot H/H center dot center dot center dot Cl (10.7%) and N center dot center dot center dot H/H center dot center dot center dot N (10.4%) interactions, as concluded from a Hirshfeld surface analysis.