Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione
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 be...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2025-02-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | https://journals.iucr.org/paper?S2056989025000519 |
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| author | Atash V. Gurbanov Firudin I. Guseinov Aida I. Samigullina Tuncer Hökelek Khudayar I. Hasanov Tahir A. Javadzade Alebel N. Belay |
| author_facet | Atash V. Gurbanov Firudin I. Guseinov Aida I. Samigullina Tuncer Hökelek Khudayar I. Hasanov Tahir A. Javadzade Alebel N. Belay |
| author_sort | Atash V. Gurbanov |
| collection | DOAJ |
| description | 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). |
| format | Article |
| id | doaj-art-94e7fb878f344dbfa3a39548d3976e19 |
| institution | Kabale University |
| issn | 2056-9890 |
| language | English |
| publishDate | 2025-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj-art-94e7fb878f344dbfa3a39548d3976e192025-02-06T07:27:16ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902025-02-0181216917110.1107/S2056989025000519pk2714Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thioneAtash V. Gurbanov0Firudin I. Guseinov1Aida I. Samigullina2Tuncer Hökelek3Khudayar I. Hasanov4Tahir A. Javadzade5Alebel N. Belay6Excellence Center, Baku State University, Z. Xalilov Str. 23, AZ 1148 Baku, AzerbaijanKosygin State University of Russia, 117997 Moscow, Russian FederationN. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian FederationHacettepe University, Department of Physics, 06800 Beytepe-Ankara, TürkiyeWestern Caspian University, Istiglaliyyat Str. 31, AZ 1001 Baku, AzerbaijanDepartment of Chemistry and Chemical Engineering, Khazar University, Mahzati Str. 41, AZ 1096 Baku, AzerbaijanDepartment of Chemistry, Bahir Dar University, PO Box 79, Bahir Dar, EthiopiaThe 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).https://journals.iucr.org/paper?S2056989025000519noncovalent interactionshydrogen bondingcrystal structure |
| spellingShingle | Atash V. Gurbanov Firudin I. Guseinov Aida I. Samigullina Tuncer Hökelek Khudayar I. Hasanov Tahir A. Javadzade Alebel N. Belay Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione Acta Crystallographica Section E: Crystallographic Communications noncovalent interactions hydrogen bonding crystal structure |
| title | Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione |
| title_full | Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione |
| title_fullStr | Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione |
| title_full_unstemmed | Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione |
| title_short | Synthesis and crystal structure analysis of 1-ethyl-1,3-dihydro-2H-benzo[d]imidazole-2-thione |
| title_sort | synthesis and crystal structure analysis of 1 ethyl 1 3 dihydro 2h benzo d imidazole 2 thione |
| topic | noncovalent interactions hydrogen bonding crystal structure |
| url | https://journals.iucr.org/paper?S2056989025000519 |
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