(3aR,6R)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide
The title compound, C11H19N3S, was prepared by the reaction of (R)-pulegone with thiosemicarbazide in acidic medium, using ethanol as solvent. The molecule is built up from fused six and five-membered rings. The six-membered ring adopts a chair conformation, while the five-membered ring displays an...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2016-04-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314616005733 |
| _version_ | 1818381078151299072 |
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| author | Abdellah N'Ait Ousidi My Youssef Ait Itto Aziz Auhmani Abdelkhalek Riahi Sylviane Chevreux Moha Berraho |
| author_facet | Abdellah N'Ait Ousidi My Youssef Ait Itto Aziz Auhmani Abdelkhalek Riahi Sylviane Chevreux Moha Berraho |
| author_sort | Abdellah N'Ait Ousidi |
| collection | DOAJ |
| description | The title compound, C11H19N3S, was prepared by the reaction of (R)-pulegone with thiosemicarbazide in acidic medium, using ethanol as solvent. The molecule is built up from fused six and five-membered rings. The six-membered ring adopts a chair conformation, while the five-membered ring displays an envelope conformation with the dimethyl-substituted C atom as the flap. The dihedral angle between the mean planes of the two rings is 20.35 (6)°. In the crystal, molecules are linked by N—H...N and N—H...S hydrogen bonds into chains running parallel to [100]. |
| first_indexed | 2024-12-14T02:28:51Z |
| format | Article |
| id | doaj.art-301f1e137b614a5598a74c59480ef1fd |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-14T02:28:51Z |
| publishDate | 2016-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-301f1e137b614a5598a74c59480ef1fd2022-12-21T23:20:18ZengInternational Union of CrystallographyIUCrData2414-31462016-04-0114x16057310.1107/S2414314616005733su4023(3aR,6R)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamideAbdellah N'Ait Ousidi0My Youssef Ait Itto1Aziz Auhmani2Abdelkhalek Riahi3Sylviane Chevreux4Moha Berraho5Laboratoire de Synthèse Organique et Physico-Chimie Moléculaire, Département de Chimie, Faculté, des Sciences, Semlalia BP 2390, Marrakech 40001, MoroccoLaboratoire de Synthèse Organique et Physico-Chimie Moléculaire, Département de Chimie, Faculté, des Sciences, Semlalia BP 2390, Marrakech 40001, MoroccoLaboratoire de Synthèse Organique et Physico-Chimie Moléculaire, Département de Chimie, Faculté, des Sciences, Semlalia BP 2390, Marrakech 40001, MoroccoLaboratoire de Synthèse Organique et Physico-Chimie Moléculaire, Département de Chimie, Faculté, des Sciences, Semlalia BP 2390, Marrakech 40001, MoroccoInstitut de Chimie Moléculaire de Reims, CNRS UMR 7312 Bât. Europol'Agro, Moulin de la Housse UFR Sciences, BP 1039–51687 Reims Cédex 2, FranceLaboratoire de Chimie des Substances Naturelles, "Unité Associé au CNRST (URAC16)", Faculté des Sciences Semlalia, BP 2390 Bd My Abdellah, 40000 Marrakech, MoroccoThe title compound, C11H19N3S, was prepared by the reaction of (R)-pulegone with thiosemicarbazide in acidic medium, using ethanol as solvent. The molecule is built up from fused six and five-membered rings. The six-membered ring adopts a chair conformation, while the five-membered ring displays an envelope conformation with the dimethyl-substituted C atom as the flap. The dihedral angle between the mean planes of the two rings is 20.35 (6)°. In the crystal, molecules are linked by N—H...N and N—H...S hydrogen bonds into chains running parallel to [100].http://scripts.iucr.org/cgi-bin/paper?S2414314616005733crystal structureindazolecarbothioamidethiosemicarbazideN—H...N hydrogen bondsN—H...S hydrogen bonds |
| spellingShingle | Abdellah N'Ait Ousidi My Youssef Ait Itto Aziz Auhmani Abdelkhalek Riahi Sylviane Chevreux Moha Berraho (3aR,6R)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide IUCrData crystal structure indazole carbothioamide thiosemicarbazide N—H...N hydrogen bonds N—H...S hydrogen bonds |
| title | (3aR,6R)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide |
| title_full | (3aR,6R)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide |
| title_fullStr | (3aR,6R)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide |
| title_full_unstemmed | (3aR,6R)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide |
| title_short | (3aR,6R)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide |
| title_sort | 3ar 6r 3 3 6 trimethyl 3 3a 4 5 6 7 hexahydro 2h indazole 2 carbothioamide |
| topic | crystal structure indazole carbothioamide thiosemicarbazide N—H...N hydrogen bonds N—H...S hydrogen bonds |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314616005733 |
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