Crystal structure of 2-[(E)-4-benzyloxy-2-hydroxybenzylidene]-N-cyclohexylhydrazinecarbothioamide acetonitrile hemisolvate
The asymmetric unit of the title compound, C21H25N3O2S·0.5C2H3N, contains two independent molecules with almost similar structural properties along with a solvent molecule of acetonitrile. The compound exists in the E conformation with respect to the azomethine C=N double bond. The hydrazinecarbothi...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2014-09-01
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| Series: | Acta Crystallographica Section E |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536814017905 |
| _version_ | 1798025788223651840 |
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| author | N. R. Sajitha M. Sithambaresan M. R. Prathapachandra Kurup |
| author_facet | N. R. Sajitha M. Sithambaresan M. R. Prathapachandra Kurup |
| author_sort | N. R. Sajitha |
| collection | DOAJ |
| description | The asymmetric unit of the title compound, C21H25N3O2S·0.5C2H3N, contains two independent molecules with almost similar structural properties along with a solvent molecule of acetonitrile. The compound exists in the E conformation with respect to the azomethine C=N double bond. The hydrazinecarbothioamide moieties in both independent molecules are almost planar [maximum deviations of 0.013 (2) and 0.007 (2) Å]. The molecular conformation is stabilized in each case by an intramolecular N—H...N hydrogen bond. In the crystal, pairs of N—H...S hydrogen bonds link each of the independent molecules into inversion dimers. The dimers are interconnected by means of three C—H...π interactions. |
| first_indexed | 2024-04-11T18:25:34Z |
| format | Article |
| id | doaj.art-a86ee96f1a2548cbbf4207d51da5ac9e |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T18:25:34Z |
| publishDate | 2014-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-a86ee96f1a2548cbbf4207d51da5ac9e2022-12-22T04:09:39ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-09-01709o987o98810.1107/S1600536814017905bv2235Crystal structure of 2-[(E)-4-benzyloxy-2-hydroxybenzylidene]-N-cyclohexylhydrazinecarbothioamide acetonitrile hemisolvateN. R. Sajitha0M. Sithambaresan1M. R. Prathapachandra Kurup2Department of Applied Chemistry, Cochin University of Science and Technology, Kochi 682 022, IndiaDepartment of Chemistry, Faculty of Science, Eastern University, Sri Lanka, Chenkalady, Sri LankaDepartment of Applied Chemistry, Cochin University of Science and Technology, Kochi 682 022, IndiaThe asymmetric unit of the title compound, C21H25N3O2S·0.5C2H3N, contains two independent molecules with almost similar structural properties along with a solvent molecule of acetonitrile. The compound exists in the E conformation with respect to the azomethine C=N double bond. The hydrazinecarbothioamide moieties in both independent molecules are almost planar [maximum deviations of 0.013 (2) and 0.007 (2) Å]. The molecular conformation is stabilized in each case by an intramolecular N—H...N hydrogen bond. In the crystal, pairs of N—H...S hydrogen bonds link each of the independent molecules into inversion dimers. The dimers are interconnected by means of three C—H...π interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536814017905crystal structurehydrazinecarbothioamidehydrogen bondingC—H...π interactionsantimicrobial applications |
| spellingShingle | N. R. Sajitha M. Sithambaresan M. R. Prathapachandra Kurup Crystal structure of 2-[(E)-4-benzyloxy-2-hydroxybenzylidene]-N-cyclohexylhydrazinecarbothioamide acetonitrile hemisolvate Acta Crystallographica Section E crystal structure hydrazinecarbothioamide hydrogen bonding C—H...π interactions antimicrobial applications |
| title | Crystal structure of 2-[(E)-4-benzyloxy-2-hydroxybenzylidene]-N-cyclohexylhydrazinecarbothioamide acetonitrile hemisolvate |
| title_full | Crystal structure of 2-[(E)-4-benzyloxy-2-hydroxybenzylidene]-N-cyclohexylhydrazinecarbothioamide acetonitrile hemisolvate |
| title_fullStr | Crystal structure of 2-[(E)-4-benzyloxy-2-hydroxybenzylidene]-N-cyclohexylhydrazinecarbothioamide acetonitrile hemisolvate |
| title_full_unstemmed | Crystal structure of 2-[(E)-4-benzyloxy-2-hydroxybenzylidene]-N-cyclohexylhydrazinecarbothioamide acetonitrile hemisolvate |
| title_short | Crystal structure of 2-[(E)-4-benzyloxy-2-hydroxybenzylidene]-N-cyclohexylhydrazinecarbothioamide acetonitrile hemisolvate |
| title_sort | crystal structure of 2 e 4 benzyloxy 2 hydroxybenzylidene n cyclohexylhydrazinecarbothioamide acetonitrile hemisolvate |
| topic | crystal structure hydrazinecarbothioamide hydrogen bonding C—H...π interactions antimicrobial applications |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536814017905 |
| work_keys_str_mv | AT nrsajitha crystalstructureof2e4benzyloxy2hydroxybenzylidenencyclohexylhydrazinecarbothioamideacetonitrilehemisolvate AT msithambaresan crystalstructureof2e4benzyloxy2hydroxybenzylidenencyclohexylhydrazinecarbothioamideacetonitrilehemisolvate AT mrprathapachandrakurup crystalstructureof2e4benzyloxy2hydroxybenzylidenencyclohexylhydrazinecarbothioamideacetonitrilehemisolvate |