Crystal structure and Hirshfeld analysis of di-tert-butyl 2,2′-[(ethylazanediyl)bis(methylene)]bis(1H-pyrrole-1-carboxylate)

The title compound, C22H33N3O4, crystallizes in the triclinic space group P with two molecules in a unit cell. The two pyrrole rings are essentially planar (r.m.s. deviation = 0.002Å) and they form a dihedral angle of 81.24(10)° with each other. The crystal packing is stabilized by C - H⋯π interactions and π-π stacking interactions, forming a three-dimensional network. The Hirshfeld surface analysis and two-dimensional fingerprint plots reveal that the most important contributions for the crystal packing are from H⋯H (74.3%), C⋯H/H⋯C (11.5%) and O⋯H/H⋯O (9.1%) contacts. © 2020.

Authors
Kvyatkovskaya E.A. 1 , Atioǧlu Z.2 , Akkurt M.3 , Epifanova P.P. 1 , Valchuk K.S. 1 , Khrustalev V.N. 1, 4 , Bhattarai A.5
Journal
Acta Crystallographica Section E: Crystallographic Communications
Publisher
International Union of Crystallography
Language
English
Pages
1827-1831
Status
Published
Link
External link
DOI
10.1107/S2056989020014966
Volume
76
Year
2020
Organizations
  • 1 Faculty of Science, Peoples' Friendship University of Russia (RUDN University), 6 Miklukho-Maklaya St, Moscow, 117198, Russian Federation
  • 2 Ilke Education and Health Foundation, Cappadocia University, Cappadocia Vocational College, The Medical Imaging Techniques Program, Mustafapaşa, Ürgüp, Nevşehir, 50420, Turkey
  • 3 Department of Physics, Faculty of Sciences, Erciyes University, Kayseri, 38039, Turkey
  • 4 N. D. Zelinsky Institute of Organic Chemistry Ras, Leninsky Prosp. 47, Moscow, 119991, Russian Federation
  • 5 Department of Chemistry, M.M.A.M.C (Tribhuvan University), Biratnagar, Nepal
Keywords
C - H⋯π interactions; crystal structure; Hirshfeld surface analysis; pyrrole ring; π-π stacking interactions
Date of creation
20.04.2021
Date of change
20.04.2021
Short link
https://repository.rudn.ru/en/records/article/record/72516/
Share

Other records