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

  • Academic Journal
  • Atioğlu Z; Department of Aircraft Electrics and Electronics, School of Applied Sciences, Cappadocia University, Mustafapaşa, 50420 Ürgüp, Nevşehir, 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.
    Babayeva GV; Organic Chemistry Department, Baku State University, Z. Khalilov str. 23, AZ 1148 Baku, Azerbaijan.; Azerbaijan State Pedagogical University, Uzeyir Hajibeyli str., 68, 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 Apr 28; Vol. 78 (Pt 5), pp. 530-535. Date of Electronic Publication: 2022 Apr 28 (Print Publication: 2022).
  • English
  • In the title compound, C 14 H 8 Br 2 FN 3 O 2 , the 4-fluoro-phenyl ring and the nitro-substituted phenyl ring form a dihedral angle of 64.37 (10)°. Mol-ecules in the crystal are connected by C-H⋯O and C-H⋯F hydrogen bonds into layers parallel to (011). The crystal packing is consolidated by C-Br⋯π and C-F⋯π inter-actions, as well as by π-π stacking inter-actions. According to a Hirshfeld surface analysis of the crystal structure, the most significant contributions to the crystal packing are from O⋯H/H⋯O (15.0%), H⋯H (14.3%), Br⋯H/H⋯Br (14.2%), C⋯H/H⋯C (10.1%), F⋯H/H⋯F (7.9%), Br⋯Br (7.2%) and Br⋯C/C⋯Br (5.8%) contacts.
    (© Atioğlu 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]-
Eur J Med Chem. 2019 Mar 15;166:291-303. (PMID: 30731398)
Acta Crystallogr E Crystallogr Commun. 2020 Jan 01;76(Pt 1):1-11. (PMID: 31921444)
Keywords: C—Br⋯π inter­actions; C—F⋯π inter­actions; C—H⋯F hydrogen bonds; C—H⋯O hydrogen bonds; Hirshfeld surface analysis; crystal structure; π–π stacking inter­actions
Date Created: 20220513 Latest Revision: 20220716
20220718
PMC9069519
10.1107/S2056989022004388
35547788
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