Methyl 3-(3-benzoylthioureido)propanoate
In the title compound, C12H14N2O3S, the propyl acetate group and the benzoyl group adopt a cis–trans conformation, respectively, with respect to the thiono S atom across the C—N bonds. The phenyl ring is twisted relative to the the thiourea mean plane, forming a dihedral...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2011-04-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053681100568X |
| _version_ | 1818286249024159744 |
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| author | Ibrahim N. Hassan Chong Yan Yi Mohammad B. Kassim |
| author_facet | Ibrahim N. Hassan Chong Yan Yi Mohammad B. Kassim |
| author_sort | Ibrahim N. Hassan |
| collection | DOAJ |
| description | In the title compound, C12H14N2O3S, the propyl acetate group and the benzoyl group adopt a cis–trans conformation, respectively, with respect to the thiono S atom across the C—N bonds. The phenyl ring is twisted relative to the the thiourea mean plane, forming a dihedral angle of 24.16 (9)°. An intramolecular N—H...O hydrogen bond occurs. The crystal packing is stabilized by intermolecular N—H...O and C—H...O hydrogen bonds, forming a chain along the a axis. |
| first_indexed | 2024-12-13T01:21:35Z |
| format | Article |
| id | doaj.art-f0b0fbd55aec45a1beea96a9a3fc7f7e |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-13T01:21:35Z |
| publishDate | 2011-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-f0b0fbd55aec45a1beea96a9a3fc7f7e2022-12-22T00:04:13ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-04-01674o780o78010.1107/S160053681100568XMethyl 3-(3-benzoylthioureido)propanoateIbrahim N. HassanChong Yan YiMohammad B. KassimIn the title compound, C12H14N2O3S, the propyl acetate group and the benzoyl group adopt a cis–trans conformation, respectively, with respect to the thiono S atom across the C—N bonds. The phenyl ring is twisted relative to the the thiourea mean plane, forming a dihedral angle of 24.16 (9)°. An intramolecular N—H...O hydrogen bond occurs. The crystal packing is stabilized by intermolecular N—H...O and C—H...O hydrogen bonds, forming a chain along the a axis.http://scripts.iucr.org/cgi-bin/paper?S160053681100568X |
| spellingShingle | Ibrahim N. Hassan Chong Yan Yi Mohammad B. Kassim Methyl 3-(3-benzoylthioureido)propanoate Acta Crystallographica Section E |
| title | Methyl 3-(3-benzoylthioureido)propanoate |
| title_full | Methyl 3-(3-benzoylthioureido)propanoate |
| title_fullStr | Methyl 3-(3-benzoylthioureido)propanoate |
| title_full_unstemmed | Methyl 3-(3-benzoylthioureido)propanoate |
| title_short | Methyl 3-(3-benzoylthioureido)propanoate |
| title_sort | methyl 3 3 benzoylthioureido propanoate |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053681100568X |
| work_keys_str_mv | AT ibrahimnhassan methyl33benzoylthioureidopropanoate AT chongyanyi methyl33benzoylthioureidopropanoate AT mohammadbkassim methyl33benzoylthioureidopropanoate |