Crystal structure and Hirshfeld analysis of di-tert-butyl 2,2′-[(ethylazanediyl)bis(methylene)]bis(1H-pyrrole-1-carboxylate)
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Published:2020-11-13
Issue:12
Volume:76
Page:1827-1831
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ISSN:2056-9890
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Container-title:Acta Crystallographica Section E Crystallographic Communications
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language:
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Short-container-title:Acta Cryst E
Author:
Kvyatkovskaya Elizaveta A.,
Atioğlu Zeliha,
Akkurt MehmetORCID,
Epifanova Polina P.,
Valchuk Karina S.,
Khrustalev Victor N.,
Bhattarai AjayaORCID
Abstract
The title compound, C22H33N3O4, crystallizes in the triclinic space group P\overline{1} with two molecules in a unit cell. The two pyrrole rings are essentially planar (r.m.s. deviation = 0.002 Å) 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.
Funder
Ministry of Education and Science of the Russian Federation
Publisher
International Union of Crystallography (IUCr)
Subject
Condensed Matter Physics,General Materials Science,General Chemistry