Crystal structure and Hirshfeld surface analysis of ethyl 2′-amino-5-bromo-3′-cyano-6′-methyl-2-oxospiro[indoline-3,4′-pyran]-5′-carboxylate

The crystal used for structure determination contained, along with the title compound, C17H14BrN3O4, an admixture [0.0324 (11)] of its 7-bromo isomer. The 2,3-dihydro-1H-indole ring system is nearly planar, while the conformation of the 4H-pyran ring is close to a flattened boat. The mean planes of these fragments form a dihedral angle of 86.67 (9)°. The carboxylate group lies near the plane of 4H-pyran, its orientation is stabilized by an intramolecular C-HO contact. In the crystal, the molecules are connected into layers by N-HN and N-HO hydrogen bonds. The most important contributions to the crystal packing are from HH (33.1%), OH/HO (16.3%), NH/HN (12.1%), BrH/HBr (11.5%) and CH/HC (10.6%) interactions. © 2022 Naghiyev et al.

Авторы
Naghiyev F.N. , Khrustalev V.N. , Venskovsky N.U. , Akkurt M. , Khalilov A.N. , Bhattarai A. , Mamedov İ.G. , Yatsenko A.V.
Издательство
International Union of Crystallography
Номер выпуска
Pt 9
Язык
Английский
Страницы
942-946
Статус
Опубликовано
Том
78
Год
2022
Организации
  • 1 Department of Chemistry, Baku State University, Z. Khalilov str. 23, Az, Baku, 1148, Azerbaijan
  • 2 Peoples' Friendship University of Russia, RUDN University, Miklukho-Maklay St. 6, Moscow, 117198, Russian Federation
  • 3 N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prosp. 47, Moscow, 119991, Russian Federation
  • 4 Department of Physics, Faculty of Sciences, Erciyes University, Kayseri, 38039, Turkey
  • 5 "Composite Materials" Scientific Research Center, Azerbaijan State Economic University (UNEC), H. Aliyev str. 135, Baku, Az 1063, Azerbaijan
  • 6 Department of Chemistry, M.M.A.M.C (Tribhuvan University) Biratnagar, Nepal
  • 7 Moscow State University, Russian Federation
Ключевые слова
crystal structure; Hirshfeld surface analysis; hydrogen bonds; spiro-oxindoles; van der Waals interactions
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