Crystal structure of O-ethyl N-(ethoxycarbonyl)thiocarbamate
The title compound, C6H11NO3S, provides entries to novel carbamoyl disulfanes and related compounds of interest to our laboratory. The atoms of the central O(C=S)N(C=O)O fragment have an r.m.s. deviation of 0.1077 Å from the respective least-squares plane. While several conformational orientations a...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015-10-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015016989 |
| _version_ | 1818997658033848320 |
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| author | Matthew J. Henley Alex M. Schrader Victor G. Young Jr George Barany |
| author_facet | Matthew J. Henley Alex M. Schrader Victor G. Young Jr George Barany |
| author_sort | Matthew J. Henley |
| collection | DOAJ |
| description | The title compound, C6H11NO3S, provides entries to novel carbamoyl disulfanes and related compounds of interest to our laboratory. The atoms of the central O(C=S)N(C=O)O fragment have an r.m.s. deviation of 0.1077 Å from the respective least-squares plane. While several conformational orientations are conceivable, the crystal structure shows only the one in which the carbonyl and the thiocarbonyl moieties are anti to each other across the central conjugated C—N—C moiety. Pairs of 2.54 Å N—H...S=C hydrogen bonds between adjacent molecules form centrosymmetric dimers in the crystal. |
| first_indexed | 2024-12-20T21:49:08Z |
| format | Article |
| id | doaj.art-971f3f244aff42729b528fedd8c58754 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-20T21:49:08Z |
| publishDate | 2015-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-971f3f244aff42729b528fedd8c587542022-12-21T19:25:36ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-10-017110o782o78310.1107/S2056989015016989ld2135Crystal structure of O-ethyl N-(ethoxycarbonyl)thiocarbamateMatthew J. Henley0Alex M. Schrader1Victor G. Young Jr2George Barany3Department of Chemistry, University of Minnesota, Minneapolis, MN 55455, USADepartment of Chemistry, University of Minnesota, Minneapolis, MN 55455, USADepartment of Chemistry, University of Minnesota, Minneapolis, MN 55455, USADepartment of Chemistry, University of Minnesota, Minneapolis, MN 55455, USAThe title compound, C6H11NO3S, provides entries to novel carbamoyl disulfanes and related compounds of interest to our laboratory. The atoms of the central O(C=S)N(C=O)O fragment have an r.m.s. deviation of 0.1077 Å from the respective least-squares plane. While several conformational orientations are conceivable, the crystal structure shows only the one in which the carbonyl and the thiocarbonyl moieties are anti to each other across the central conjugated C—N—C moiety. Pairs of 2.54 Å N—H...S=C hydrogen bonds between adjacent molecules form centrosymmetric dimers in the crystal.http://scripts.iucr.org/cgi-bin/paper?S2056989015016989crystal structurethiocarbamatehydrogen bonding |
| spellingShingle | Matthew J. Henley Alex M. Schrader Victor G. Young Jr George Barany Crystal structure of O-ethyl N-(ethoxycarbonyl)thiocarbamate Acta Crystallographica Section E: Crystallographic Communications crystal structure thiocarbamate hydrogen bonding |
| title | Crystal structure of O-ethyl N-(ethoxycarbonyl)thiocarbamate |
| title_full | Crystal structure of O-ethyl N-(ethoxycarbonyl)thiocarbamate |
| title_fullStr | Crystal structure of O-ethyl N-(ethoxycarbonyl)thiocarbamate |
| title_full_unstemmed | Crystal structure of O-ethyl N-(ethoxycarbonyl)thiocarbamate |
| title_short | Crystal structure of O-ethyl N-(ethoxycarbonyl)thiocarbamate |
| title_sort | crystal structure of o ethyl n ethoxycarbonyl thiocarbamate |
| topic | crystal structure thiocarbamate hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989015016989 |
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