5′′-(4-Nitrobenzylidene)-7′-(4-nitrophenyl)-1′′-methyl-1′,3′,5′,6′,7′,7a′-hexahydrodispiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole-6′,3′′-piperidine]-2,4′′(1H)-dione including an unknown solvate
The title compound, C35H28N4O6S, crystallizes with two molecules in the asymmetric unit. In both molecules, the piperidine ring adopts a shallow-chair conformation, the thiazole ring adopts a twisted conformation about the Cm—N bond (m = methine) and the pyrrole ring adopts an envelope con...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2013-08-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536813017704 |
| _version_ | 1798019117529169920 |
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| author | P. L. Nilantha Lakshman R. Ranjith. Kumar S. Sivakumar R. Vishnupriya J. Suresh |
| author_facet | P. L. Nilantha Lakshman R. Ranjith. Kumar S. Sivakumar R. Vishnupriya J. Suresh |
| author_sort | P. L. Nilantha Lakshman |
| collection | DOAJ |
| description | The title compound, C35H28N4O6S, crystallizes with two molecules in the asymmetric unit. In both molecules, the piperidine ring adopts a shallow-chair conformation, the thiazole ring adopts a twisted conformation about the Cm—N bond (m = methine) and the pyrrole ring adopts an envelope conformation with the C atom shared with the thiazole ring as the flap. In the crystal, inversion dimers linked by pairs of C—H...O interactions generate R22(34) loops for one of the asymmetric molecules. Further C—H...O links also involving the other molecule lead to a three-dimesional network. The contribution of the highly disordered solvent to the scattering was removed with SQUEEZE option of PLATON [Spek (2009). Acta Cryst. D65, 148–155]. The solvent contribution is not included in the reported molecular weight and density. |
| first_indexed | 2024-04-11T16:35:27Z |
| format | Article |
| id | doaj.art-038475a7443f48a8a5eb579da443a401 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T16:35:27Z |
| publishDate | 2013-08-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-038475a7443f48a8a5eb579da443a4012022-12-22T04:13:51ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-08-01698o1208o120910.1107/S16005368130177045′′-(4-Nitrobenzylidene)-7′-(4-nitrophenyl)-1′′-methyl-1′,3′,5′,6′,7′,7a′-hexahydrodispiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole-6′,3′′-piperidine]-2,4′′(1H)-dione including an unknown solvateP. L. Nilantha LakshmanR. Ranjith. KumarS. SivakumarR. VishnupriyaJ. SureshThe title compound, C35H28N4O6S, crystallizes with two molecules in the asymmetric unit. In both molecules, the piperidine ring adopts a shallow-chair conformation, the thiazole ring adopts a twisted conformation about the Cm—N bond (m = methine) and the pyrrole ring adopts an envelope conformation with the C atom shared with the thiazole ring as the flap. In the crystal, inversion dimers linked by pairs of C—H...O interactions generate R22(34) loops for one of the asymmetric molecules. Further C—H...O links also involving the other molecule lead to a three-dimesional network. The contribution of the highly disordered solvent to the scattering was removed with SQUEEZE option of PLATON [Spek (2009). Acta Cryst. D65, 148–155]. The solvent contribution is not included in the reported molecular weight and density.http://scripts.iucr.org/cgi-bin/paper?S1600536813017704 |
| spellingShingle | P. L. Nilantha Lakshman R. Ranjith. Kumar S. Sivakumar R. Vishnupriya J. Suresh 5′′-(4-Nitrobenzylidene)-7′-(4-nitrophenyl)-1′′-methyl-1′,3′,5′,6′,7′,7a′-hexahydrodispiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole-6′,3′′-piperidine]-2,4′′(1H)-dione including an unknown solvate Acta Crystallographica Section E |
| title | 5′′-(4-Nitrobenzylidene)-7′-(4-nitrophenyl)-1′′-methyl-1′,3′,5′,6′,7′,7a′-hexahydrodispiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole-6′,3′′-piperidine]-2,4′′(1H)-dione including an unknown solvate |
| title_full | 5′′-(4-Nitrobenzylidene)-7′-(4-nitrophenyl)-1′′-methyl-1′,3′,5′,6′,7′,7a′-hexahydrodispiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole-6′,3′′-piperidine]-2,4′′(1H)-dione including an unknown solvate |
| title_fullStr | 5′′-(4-Nitrobenzylidene)-7′-(4-nitrophenyl)-1′′-methyl-1′,3′,5′,6′,7′,7a′-hexahydrodispiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole-6′,3′′-piperidine]-2,4′′(1H)-dione including an unknown solvate |
| title_full_unstemmed | 5′′-(4-Nitrobenzylidene)-7′-(4-nitrophenyl)-1′′-methyl-1′,3′,5′,6′,7′,7a′-hexahydrodispiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole-6′,3′′-piperidine]-2,4′′(1H)-dione including an unknown solvate |
| title_short | 5′′-(4-Nitrobenzylidene)-7′-(4-nitrophenyl)-1′′-methyl-1′,3′,5′,6′,7′,7a′-hexahydrodispiro[acenaphthylene-1,5′-pyrrolo[1,2-c][1,3]thiazole-6′,3′′-piperidine]-2,4′′(1H)-dione including an unknown solvate |
| title_sort | 5 8242 8242 4 nitrobenzylidene 7 8242 4 nitrophenyl 1 8242 8242 methyl 1 8242 3 8242 5 8242 6 8242 7 8242 7a 8242 hexahydrodispiro acenaphthylene 1 5 8242 pyrrolo 1 2 c 1 3 thiazole 6 8242 3 8242 8242 piperidine 2 4 8242 8242 1h dione including an unknown solvate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536813017704 |
| work_keys_str_mv | AT plnilanthalakshman 5824282424nitrobenzylidene782424nitrophenyl182428242methyl18242382425824268242782427a8242hexahydrodispiroacenaphthylene158242pyrrolo12c13thiazole68242382428242piperidine24824282421hdioneincludinganunknownsolvate AT rranjithkumar 5824282424nitrobenzylidene782424nitrophenyl182428242methyl18242382425824268242782427a8242hexahydrodispiroacenaphthylene158242pyrrolo12c13thiazole68242382428242piperidine24824282421hdioneincludinganunknownsolvate AT ssivakumar 5824282424nitrobenzylidene782424nitrophenyl182428242methyl18242382425824268242782427a8242hexahydrodispiroacenaphthylene158242pyrrolo12c13thiazole68242382428242piperidine24824282421hdioneincludinganunknownsolvate AT rvishnupriya 5824282424nitrobenzylidene782424nitrophenyl182428242methyl18242382425824268242782427a8242hexahydrodispiroacenaphthylene158242pyrrolo12c13thiazole68242382428242piperidine24824282421hdioneincludinganunknownsolvate AT jsuresh 5824282424nitrobenzylidene782424nitrophenyl182428242methyl18242382425824268242782427a8242hexahydrodispiroacenaphthylene158242pyrrolo12c13thiazole68242382428242piperidine24824282421hdioneincludinganunknownsolvate |