scroll to top
0

Mobile Menu

Header Layout

EBSCO Auth Banner

Let's find your institution. Click here.

Page title

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

  • Academic Journal
  • Akkurt M; Department of Physics, Faculty of Science, Erciyes University, 38039 Kayseri, Turkey.
    Yıldırım SÖ; Department of Physics, Faculty of Science, Eskisehir Technical University, Yunus Emre Campus 26470 Eskisehir, Turkey.; Department of Physics, Faculty of Science, 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.
    Niyazova AA; Organic Chemistry Department, Baku State University, Z. Khalilov str. 23, AZ 1148 Baku, Azerbaijan.; Azerbaijan State University of Economics (UNEC), Istiglaliyyat str., Baku, Azerbaijan.
    Khrustalev VN; Peoples' Friendship University of Russia (RUDN University), Miklukho-Maklay St. 6, Moscow, 117198, Russian Federation.; N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prosp. 47, Moscow, 119991, 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 Jun 16; Vol. 78 (Pt 7), pp. 732-736. Date of Electronic Publication: 2022 Jun 16 (Print Publication: 2022).
  • English
  • The mol-ecule of the title compound, C 14 H 8 Br 3 N 3 O 2 , consists of three almost planar groups: the central di-bromo-ethenyldiazene fragment and two attached aromatic rings. The mean planes of these rings form dihedral angles with the plane of the central fragment of 26.35 (15) and 72.57 (14)° for bromine- and nitro-substituted rings, respectively. In the crystal, C-H⋯Br inter-actions connect mol-ecules, generating zigzag C (8) chains along the [100] direction. These chains are linked by C-Br⋯π inter-actions into layers parallel to (001). van der Waals inter-actions between the layers aid in the cohesion of the crystal packing. The most substantial contributions to crystal packing, according to a Hirshfeld surface analysis, are from Br⋯H/H⋯Br (20.9%), C⋯H/H⋯C (15.2%), O⋯H/H⋯O (12.6%) and H⋯H (11.7%) contacts.
    (© Akkurt 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]-
Acta Crystallogr E Crystallogr Commun. 2020 Jan 01;76(Pt 1):1-11. (PMID: 31921444)
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2013 Jun;69(Pt 3):249-59. (PMID: 23719469)
Acta Crystallogr A Found Adv. 2015 Jan;71(Pt 1):3-8. (PMID: 25537383)
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Apr;72(Pt 2):171-9. (PMID: 27048719)
Acta Crystallogr C Struct Chem. 2015 Jan;71(Pt 1):3-8. (PMID: 25567568)
Acta Crystallogr E Crystallogr Commun. 2020 Jul 10;76(Pt 8):1251-1254. (PMID: 32844008)
Acta Crystallogr E Crystallogr Commun. 2022 Mar 17;78(Pt 4):404-408. (PMID: 35492284)
Chemistry. 2021 Oct 19;27(58):14370-14389. (PMID: 34363268)
J Appl Crystallogr. 2015 Jan 30;48(Pt 1):3-10. (PMID: 26089746)
Acta Crystallogr E Crystallogr Commun. 2022 Apr 28;78(Pt 5):530-535. (PMID: 35547788)
Acta Crystallogr E Crystallogr Commun. 2019 Jan 18;75(Pt 2):237-241. (PMID: 30800458)
Acta Crystallogr E Crystallogr Commun. 2020 May 06;76(Pt 6):811-815. (PMID: 32523745)
Chemistry. 2020 Nov 20;26(65):14833-14837. (PMID: 32567710)
J Appl Crystallogr. 2021 Apr 27;54(Pt 3):1006-1011. (PMID: 34188619)
Acta Crystallogr E Crystallogr Commun. 2019 Jul 19;75(Pt 8):1199-1204. (PMID: 31417792)
Keywords: C(8) chains; C—H⋯Br inter­actions; Hirshfeld surface analysis; crystal structure; non-covalent inter­actions
Date Created: 20220720 Latest Revision: 20220721
20220908
PMC9260355
10.1107/S205698902200620X
35855357

banner_970x250 (970x250)

sponsored