Crystal structure of (E)-4-(acetoxyimino)-N-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide
The title compound, C26H31N3O2S, crystallizes with two molecules (A and B) in the asymmetric unit. In each case, the piperidine ring exists in a twist-boat conformation. The dihedral angle between the phenyl rings is 46.16 (12)° in molecule A and 44.95 (12)° in molecule B. In both molecules, the all...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015-08-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015012499 |
| _version_ | 1798030913096908800 |
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| author | T. Mohandas K. Gokula Krishnan S. Balamurugan William T. A. Harrison V. Thanikachalam P. Sakthivel |
| author_facet | T. Mohandas K. Gokula Krishnan S. Balamurugan William T. A. Harrison V. Thanikachalam P. Sakthivel |
| author_sort | T. Mohandas |
| collection | DOAJ |
| description | The title compound, C26H31N3O2S, crystallizes with two molecules (A and B) in the asymmetric unit. In each case, the piperidine ring exists in a twist-boat conformation. The dihedral angle between the phenyl rings is 46.16 (12)° in molecule A and 44.95 (12)° in molecule B. In both molecules, the allyl side chain is disordered over two orientations in a 0.649 (9):0.351 (9) ratio for molecule A and 0.826 (10):0.174 (10) ratio for molecule B. In the crystal, neither molecule forms a hydrogen bond from its N—H group, presumably due to steric hindrance. A+A and B+B inversion dimers are formed, linked by pairs of weak C—H...O hydrogen bonds enclosing R22(22) ring motifs. |
| first_indexed | 2024-04-11T19:47:47Z |
| format | Article |
| id | doaj.art-101886a1fbbf4be5b4051bbc5084454f |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-11T19:47:47Z |
| publishDate | 2015-08-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-101886a1fbbf4be5b4051bbc5084454f2022-12-22T04:06:23ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-08-01718o542o54310.1107/S2056989015012499su5159Crystal structure of (E)-4-(acetoxyimino)-N-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamideT. Mohandas0K. Gokula Krishnan1S. Balamurugan2William T. A. Harrison3V. Thanikachalam4P. Sakthivel5Department of Physics, Shri Angalamman College of Engineering and Technology, Siruganoor, Tiruchirappalli, IndiaDepartment of Chemistry, Annamalai University, Annamalainagar, Chidambaram, IndiaDepartment of Physics, Rover College of Engineering and Technology, Perambalur, IndiaDepartment of Chemistry, University of Aberdeen, Aberdeen AB24 3UE, ScotlandDepartment of Chemistry, Annamalai University, Annamalainagar, Chidambaram, IndiaDepartment of Physics, Urumu Dhanalakshmi College, Tiruchirappalli, IndiaThe title compound, C26H31N3O2S, crystallizes with two molecules (A and B) in the asymmetric unit. In each case, the piperidine ring exists in a twist-boat conformation. The dihedral angle between the phenyl rings is 46.16 (12)° in molecule A and 44.95 (12)° in molecule B. In both molecules, the allyl side chain is disordered over two orientations in a 0.649 (9):0.351 (9) ratio for molecule A and 0.826 (10):0.174 (10) ratio for molecule B. In the crystal, neither molecule forms a hydrogen bond from its N—H group, presumably due to steric hindrance. A+A and B+B inversion dimers are formed, linked by pairs of weak C—H...O hydrogen bonds enclosing R22(22) ring motifs.http://scripts.iucr.org/cgi-bin/paper?S2056989015012499crystal structurecarbothioamidepiperidineacetoxyiminoinversion dimers |
| spellingShingle | T. Mohandas K. Gokula Krishnan S. Balamurugan William T. A. Harrison V. Thanikachalam P. Sakthivel Crystal structure of (E)-4-(acetoxyimino)-N-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide Acta Crystallographica Section E: Crystallographic Communications crystal structure carbothioamide piperidine acetoxyimino inversion dimers |
| title | Crystal structure of (E)-4-(acetoxyimino)-N-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide |
| title_full | Crystal structure of (E)-4-(acetoxyimino)-N-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide |
| title_fullStr | Crystal structure of (E)-4-(acetoxyimino)-N-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide |
| title_full_unstemmed | Crystal structure of (E)-4-(acetoxyimino)-N-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide |
| title_short | Crystal structure of (E)-4-(acetoxyimino)-N-allyl-3-isopropyl-2,6-diphenylpiperidine-1-carbothioamide |
| title_sort | crystal structure of e 4 acetoxyimino n allyl 3 isopropyl 2 6 diphenylpiperidine 1 carbothioamide |
| topic | crystal structure carbothioamide piperidine acetoxyimino inversion dimers |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989015012499 |
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