Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione

Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione Full article

Journal

Acta Crystallographica Section E: Crystallographic Communications
ISSN: 2056-9890

Output data

Year: 2025, Volume: 81, Number: 2, Pages: 169-171 Pages count : 3 DOI: 10.1107/s2056989025000519

Authors

Gurbanov Atash V. ^1,2 , Guseinov Firudin I. ^2,3 , Samigullina Aida I. ³ , Hökelek Tuncer ⁴ , Hasanov Khudayar I. ^5,6 , Javadzade Tahir A. ⁷ , Belay Alebel N. ⁸

Affiliations

1	Excellence Center, Baku State University, Z. Xalilov Str. 23, AZ 1148 Baku, Azerbaijan
2	Kosygin State University of Russia, 117997 Moscow, Russian Federation
3	N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation
4	Hacettepe University, Department of Physics, 06800 Beytepe-Ankara, Türkiye
5	Azerbaijan Medical University, Scientific Research Centre (SRC), A. Kasumzade Str. 14, AZ 1022 Baku, Azerbaijan
6	Western Caspian University, Istiglaliyyat Str. 31, AZ 1001 Baku, Azerbaijan
7	Department of Chemistry and Chemical Engineering, Khazar University, Mahzati Str. 41, AZ 1096 Baku, Azerbaijan
8	Department of Chemistry, Bahir Dar University, PO Box 79, Bahir Dar, Ethiopia

The asymmetric unit of the title compound, C9H10N2S, contains two crystallographically independent, almost planar, molecules. In the crystal, intermolecular N—H⋯S hydrogen bonds link the molecules into pseudocentrosymmetric dimers, enclosing R22(8) ring motifs. There are mutual π–π interactions between the five- and six-membered rings of each independent molecule in the chosen asymmetric unit, with ring centroid-to-centroid distances of 3.6685 (12) and 3.7062 (12) Å. A weak C—H⋯π(ring) interaction is also observed. The N—H⋯S hydrogen bonds, the π–π interactions and the weak C—H⋯π(ring) interaction are effective in the stabilization of the crystal structure. The structure was refined as an inversion twin with a component occupancy ratio of 0.546 (15):0.454 (16).

Gurbanov A.V. , Guseinov F.I. , Samigullina A.I. , Hökelek T. , Hasanov K.I. , Javadzade T.A. , Belay A.N.
Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione
Acta Crystallographica Section E: Crystallographic Communications. 2025. V.81. N2. P.169-171. DOI: 10.1107/s2056989025000519 WOS Scopus OpenAlex

Web of science:	WOS:001440770100016
Scopus:	2-s2.0-85218229340
OpenAlex:	W4406919270

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