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Crystal structure and Hirshfeld surface analysis of 5-(5-phenyl-1,2-oxazol-3-yl)-1,3,4-thia-diazol-2-amine.

  • Academic Journal
  • Nikitina EV; Department of Organic Chemistry, Peoples' Friendship University of Russia (RUDN University), 6 Miklukho-Maklaya St., 117198, Moscow, Russian Federation.
    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.
    Petkevich SK; Laboratory of the Chemistry of Heterocyclic Compounds, Institute of Physical Organic Chemistry, National Academy of Sciences of Belarus, 13, Surganova Str., 220072, Minsk, Belarus.
    Akishina EA; Laboratory of the Chemistry of Heterocyclic Compounds, Institute of Physical Organic Chemistry, National Academy of Sciences of Belarus, 13, Surganova Str., 220072, Minsk, Belarus.
    Khrustalev VN; Department of Organic Chemistry, Peoples' Friendship University of Russia (RUDN University), 6 Miklukho-Maklaya St., 117198, Moscow, Russian Federation.; N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky Av., Moscow, Russian Federation.
    Mlowe S; University of Dar es Salaam, Dar es Salaam University College of Education, Department of Chemistry, PO Box 2329, Dar es Salaam, Tanzania.
  • Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Mar 31; Vol. 78 (Pt 4), pp. 453-457. Date of Electronic Publication: 2022 Mar 31 (Print Publication: 2022).
  • English
  • The title compound, C 11 H 8 N 4 OS, crystallizes with two independent mol-ecules in the asymmetric unit. In the crystal, the N-H⋯N and C-H⋯N hydrogen bonds connect the mol-ecules, generating double layers parallel to the (001) plane. The layers are joined by C-H⋯π inter-actions to form a three-dimensional supra-molecular structure.
    (© Nikitina 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—H⋯π inter­actions; Hirshfeld surface analysis; crystal structure; hydrogen bonds; π–π stacking inter­actions
Date Created: 20220502 Latest Revision: 20220503
20220503
PMC8983972
10.1107/S2056989022003450
35492272
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