Crystal structure 2-{[2-(3-phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride
In the title salt of an S-substituted dithiocarbazate, C16H16N3S2+·Cl-, the dihedral angles between the almost planar (r.m.s deviation = 0.005 Å) central CN2S2 residue and the terminal pyridinium and phenyl rings are 80.09 (11) and 3.82 (11)°, respectively, indicating the cation has an L-shape; th...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2014
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| Online Access: | http://psasir.upm.edu.my/id/eprint/36935/6/Crystal%20structure%202.pdf |
| _version_ | 1825948938538057728 |
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| author | Low, May Lee Ravoof, Thahira Begum S. A. Mohamed Tahir, Mohamed Ibrahim Crouse, Karen Anne Tiekink, Edward R. T. |
| author_facet | Low, May Lee Ravoof, Thahira Begum S. A. Mohamed Tahir, Mohamed Ibrahim Crouse, Karen Anne Tiekink, Edward R. T. |
| author_sort | Low, May Lee |
| collection | UPM |
| description | In the title salt of an S-substituted dithiocarbazate, C16H16N3S2+·Cl-, the dihedral angles between the almost planar (r.m.s deviation = 0.005 Å) central CN2S2 residue and the terminal pyridinium and phenyl rings are 80.09 (11) and 3.82 (11)°, respectively, indicating the cation has an L-shape; the amine H and thione S atoms are syn. The conformation about each of the imine [1.376 (3) Å] and ethene [1.333 (4) Å] bonds is E. The shortened C-C bond [1.444 (4) Å] linking the double bonds is consistent with conjugation in this part of the molecule. In the crystal, supramolecular layers with a jagged topology are formed by charged-assisted amine-H...Cl- and pyridinium-N+-H...Cl- hydrogen bonds. The layers stack along the a axis with no specific directional interactions between them. |
| first_indexed | 2024-03-06T08:36:48Z |
| format | Article |
| id | upm.eprints-36935 |
| institution | Universiti Putra Malaysia |
| language | English |
| last_indexed | 2024-03-06T08:36:48Z |
| publishDate | 2014 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | upm.eprints-369352015-10-01T01:54:52Z http://psasir.upm.edu.my/id/eprint/36935/ Crystal structure 2-{[2-(3-phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride Low, May Lee Ravoof, Thahira Begum S. A. Mohamed Tahir, Mohamed Ibrahim Crouse, Karen Anne Tiekink, Edward R. T. In the title salt of an S-substituted dithiocarbazate, C16H16N3S2+·Cl-, the dihedral angles between the almost planar (r.m.s deviation = 0.005 Å) central CN2S2 residue and the terminal pyridinium and phenyl rings are 80.09 (11) and 3.82 (11)°, respectively, indicating the cation has an L-shape; the amine H and thione S atoms are syn. The conformation about each of the imine [1.376 (3) Å] and ethene [1.333 (4) Å] bonds is E. The shortened C-C bond [1.444 (4) Å] linking the double bonds is consistent with conjugation in this part of the molecule. In the crystal, supramolecular layers with a jagged topology are formed by charged-assisted amine-H...Cl- and pyridinium-N+-H...Cl- hydrogen bonds. The layers stack along the a axis with no specific directional interactions between them. International Union of Crystallography 2014-11 Article PeerReviewed application/pdf en http://psasir.upm.edu.my/id/eprint/36935/6/Crystal%20structure%202.pdf Low, May Lee and Ravoof, Thahira Begum S. A. and Mohamed Tahir, Mohamed Ibrahim and Crouse, Karen Anne and Tiekink, Edward R. T. (2014) Crystal structure 2-{[2-(3-phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride. Acta Crystallographica Section E: Structure Reports Online, E70 (pt.11). o1207-o1208. ISSN 1600-5368 http://scripts.iucr.org/cgi-bin/paper?hb7295 10.1107/S1600536814023228 |
| spellingShingle | Low, May Lee Ravoof, Thahira Begum S. A. Mohamed Tahir, Mohamed Ibrahim Crouse, Karen Anne Tiekink, Edward R. T. Crystal structure 2-{[2-(3-phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride |
| title | Crystal structure 2-{[2-(3-phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride |
| title_full | Crystal structure 2-{[2-(3-phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride |
| title_fullStr | Crystal structure 2-{[2-(3-phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride |
| title_full_unstemmed | Crystal structure 2-{[2-(3-phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride |
| title_short | Crystal structure 2-{[2-(3-phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride |
| title_sort | crystal structure 2 2 3 phenylallylidene hydrazin 1 yl thiocarbonylsulfanylmethyl pyridinium chloride |
| url | http://psasir.upm.edu.my/id/eprint/36935/6/Crystal%20structure%202.pdf |
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