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Crystal structure and Hirshfeld surface analysis of 3-methyl-4-oxo- N -phenyl-3,4-di-hydro-quinazoline-2-carbo-thio-amide.

  • Academic Journal
  • Pirnazarova N; Qarshi State University, Kochabog str. 17, Qarshi 180119, Uzbekistan.
    Yakubov U; S. Yunusov Institute of Chemistry of Plant Substances, Academy of Sciences of Uzbekistan, Mirzo Ulugbek str. 77, Tashkent 100170, Uzbekistan.
    Allabergenova S; S. Yunusov Institute of Chemistry of Plant Substances, Academy of Sciences of Uzbekistan, Mirzo Ulugbek str. 77, Tashkent 100170, Uzbekistan.
    Tojiboev A; University of Geological Sciences, Olimlar str. 64, Mirzo Ulugbek district, Tashkent, Uzbekistan.; National University of Uzbekistan named after Mirzo Ulugbek 100174, University Str. 4, Olmazor District, Tashkent, Uzbekistan.
    Turgunov K; S. Yunusov Institute of Chemistry of Plant Substances, Academy of Sciences of Uzbekistan, Mirzo Ulugbek str. 77, Tashkent 100170, Uzbekistan.; Turin Polytechnic University in Tashkent, Kichik Khalka yuli str. 17, 100095 Tashkent, Uzbekistan.
    Elmuradov B; S. Yunusov Institute of Chemistry of Plant Substances, Academy of Sciences of Uzbekistan, Mirzo Ulugbek str. 77, Tashkent 100170, Uzbekistan.
  • Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jan 01; Vol. 78 (Pt 1), pp. 47-50. Date of Electronic Publication: 2022 Jan 01 (Print Publication: 2022).
  • English
  • The asymmetric unit of the title compound, C 16 H 13 N 3 OS, comprises two mol-ecules ( A and B ) with similar conformations that differ mainly in the orientation of the phenyl group relative to the rest of the mol-ecule, as expressed by the C thio-amide -N thio-amide -C phen-yl -C phen-yl torsion angle of 49.3 (3)° for mol-ecule A and of 5.4 (3)° for mol-ecule B . In the crystal, two inter-molecular N-H⋯N hydrogen bonds lead to the formation of a dimer with R 2 2 (10) graph-set notation. A Hirshfeld surface analysis revealed that H⋯H inter-actions are the most important inter-molecular inter-actions, contributing 40.9% to the Hirshfeld surface.
    (© Pirnazarova 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 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 Sect E Struct Rep Online. 2014 Jun 18;70(Pt 7):o788. (PMID: 25161573)
J Appl Crystallogr. 2020 Feb 01;53(Pt 1):226-235. (PMID: 32047413)
J Org Chem. 2016 Aug 5;81(15):6596-608. (PMID: 27454621)
Acta Crystallogr Sect E Struct Rep Online. 2013 Jun 15;69(Pt 7):o1094. (PMID: 24046656)
Chem Rev. 2003 Jan;103(1):197-227. (PMID: 12517184)
Keywords: Hirshfeld surface; crystal structure; intra- and inter­molecular inter­actions; thio­amide
Date Created: 20220126 Latest Revision: 20220127
20220127
PMC8739201
10.1107/S2056989021013116
35079423
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