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Crystal structure and Hirshfeld surface analysis of ( E )-1-[2,2-di-bromo-1-(2-nitro-phen-yl)ethen-yl]-2-(4-fluoro-phen-yl)diazene.

  • Academic Journal
  • Çelikesir ST; Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
    Akkurt M; Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
    Shikhaliyev NQ; Organic Chemistry Department, Baku State University, Z. Khalilov str. 23, AZ 1148 Baku, Azerbaijan.
    Mammadova NA; Organic Chemistry Department, Baku State University, Z. Khalilov str. 23, AZ 1148 Baku, Azerbaijan.
    Suleymanova GT; Organic Chemistry Department, Baku State University, Z. Khalilov str. 23, AZ 1148 Baku, Azerbaijan.
    Khrustalev VN; Peoples' Friendship University of Russia, 6 Miklukho-Maklaya, Moscow, Russian Federation.; N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky Av., Moscow, Russian Federation.
    Bhattarai A; Department of Chemistry, M.M.A.M.C (Tribhuvan University) Biratnagar, Nepal.
  • Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Mar 17; Vol. 78 (Pt 4), pp. 404-408. Date of Electronic Publication: 2022 Mar 17 (Print Publication: 2022).
  • English
  • In the title compound, C 14 H 8 Br 2 FN 3 O 2 , the nitro-substituted benzene ring and the 4-fluoro-phenyl ring form a dihedral angle of 65.73 (7)°. In the crystal, mol-ecules are linked into chains by C-H⋯O hydrogen bonds running parallel to the c -axis direction. The crystal packing is consolidated by C-F⋯π inter-actions and π-π stacking inter-actions, and short Br⋯O [2.9828 (13) Å] contacts are observed. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (17.4%), O⋯H/H⋯O (16.3%), Br⋯H/H⋯Br (15.5%), Br⋯C/C⋯Br (10.1%) and F⋯H/H⋯F (8.1%) contacts.
    (© Çelikesir et al. 2022.)
Additional Information
Publisher: John Wiley & Sons Ltd Country of Publication: England NLM ID: 101648987 Publication Model: eCollection Cited Medium: Print ISSN: 2056-9890 (Print) NLM ISO Abbreviation: Acta Crystallogr E Crystallogr Commun Subsets: PubMed not MEDLINE
Original Publication: West Sussex : John Wiley & Sons Ltd. [2015]-
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Keywords: C—F⋯π inter­action; Hirshfeld surface analysis; crystal structure; π–π stacking inter­action
Date Created: 20220502 Latest Revision: 20220503
20220503
PMC8983971
10.1107/S205698902200278X
35492284
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