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


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 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 77
  • Publication Date: 2021
  • Doi Number: 10.1107/s2056989021006459
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Page Numbers: pp.739-748
  • Keywords: crystal structure, spirooxindole, dimers, hydrogen bond, Hirshfeld surface analysis, INTERMOLECULAR INTERACTIONS

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.