Cargando…

Crystal structure of 7′-(4-chloro­phen­yl)-2′′-(4-meth­oxy­phen­yl)-7′,7a’,7′′,8′′-tetra­hydro-1′H,3′H,5′′H-di­spiro­[indoline-3,5′-pyrrolo­[1,2-c]thia­zole-6′,6′′-quinoline]-2,5′′-dione and an unknown solvent

The asymmetric unit of the title compound, C(34)H(28)ClN(3)O(3)S, contains two independent mol­ecules (A and B). They differ essentially in the orientation of the 4-meth­oxy­phenyl ring with respect to the pyridine ring of the quinoline moiety; this dihedral angle is 37.01 (18)° in mol­ecule A but o...

Descripción completa

Detalles Bibliográficos
Autores principales: Vishnupriya, R., Venkateshan, M., Suresh, J., Sumesh, R. V., Kumar, R. Ranjith, Lakshman, P. L. Nilantha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362668/
https://www.ncbi.nlm.nih.gov/pubmed/30800449
http://dx.doi.org/10.1107/S2056989019000112
_version_ 1783392967885586432
author Vishnupriya, R.
Venkateshan, M.
Suresh, J.
Sumesh, R. V.
Kumar, R. Ranjith
Lakshman, P. L. Nilantha
author_facet Vishnupriya, R.
Venkateshan, M.
Suresh, J.
Sumesh, R. V.
Kumar, R. Ranjith
Lakshman, P. L. Nilantha
author_sort Vishnupriya, R.
collection PubMed
description The asymmetric unit of the title compound, C(34)H(28)ClN(3)O(3)S, contains two independent mol­ecules (A and B). They differ essentially in the orientation of the 4-meth­oxy­phenyl ring with respect to the pyridine ring of the quinoline moiety; this dihedral angle is 37.01 (18)° in mol­ecule A but only 7.06 (17)° in mol­ecule B. In both mol­ecules, the cyclo­hexa­none ring of the iso­quinoline unit has a half-chair conformation. In the pyrrolo­thia­zole ring system, the pyrrolo ring in mol­ecule A has a twisted conformation on the N—C fused bond and an envelope conformation in mol­ecule B with the N atom as the flap. The thia­zole rings of both mol­ecules have twisted conformations on the N—C fused bond. In the crystal, the A mol­ecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif. These dimers are linked to the B mol­ecules by an N—H⋯N hydrogen bond and a series of C—H⋯O hydrogen bonds, forming layers lying parallel to the (101) plane. The layers are linked by C—H⋯π inter­actions and offset π–π inter­actions [inter­centroid distance = 3.427 (1) Å], forming a supra­molecular framework. The contribution to the scattering from a region of highly disordered solvent mol­ecules was removed with the SQUEEZE routine in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18]. The solvent formula mass and unit-cell characteristics were not taken into account during refinement.
format Online
Article
Text
id pubmed-6362668
institution National Center for Biotechnology Information
language English
publishDate 2019
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-63626682019-02-22 Crystal structure of 7′-(4-chloro­phen­yl)-2′′-(4-meth­oxy­phen­yl)-7′,7a’,7′′,8′′-tetra­hydro-1′H,3′H,5′′H-di­spiro­[indoline-3,5′-pyrrolo­[1,2-c]thia­zole-6′,6′′-quinoline]-2,5′′-dione and an unknown solvent Vishnupriya, R. Venkateshan, M. Suresh, J. Sumesh, R. V. Kumar, R. Ranjith Lakshman, P. L. Nilantha Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, C(34)H(28)ClN(3)O(3)S, contains two independent mol­ecules (A and B). They differ essentially in the orientation of the 4-meth­oxy­phenyl ring with respect to the pyridine ring of the quinoline moiety; this dihedral angle is 37.01 (18)° in mol­ecule A but only 7.06 (17)° in mol­ecule B. In both mol­ecules, the cyclo­hexa­none ring of the iso­quinoline unit has a half-chair conformation. In the pyrrolo­thia­zole ring system, the pyrrolo ring in mol­ecule A has a twisted conformation on the N—C fused bond and an envelope conformation in mol­ecule B with the N atom as the flap. The thia­zole rings of both mol­ecules have twisted conformations on the N—C fused bond. In the crystal, the A mol­ecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif. These dimers are linked to the B mol­ecules by an N—H⋯N hydrogen bond and a series of C—H⋯O hydrogen bonds, forming layers lying parallel to the (101) plane. The layers are linked by C—H⋯π inter­actions and offset π–π inter­actions [inter­centroid distance = 3.427 (1) Å], forming a supra­molecular framework. The contribution to the scattering from a region of highly disordered solvent mol­ecules was removed with the SQUEEZE routine in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18]. The solvent formula mass and unit-cell characteristics were not taken into account during refinement. International Union of Crystallography 2019-01-11 /pmc/articles/PMC6362668/ /pubmed/30800449 http://dx.doi.org/10.1107/S2056989019000112 Text en © Vishnupriya et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Vishnupriya, R.
Venkateshan, M.
Suresh, J.
Sumesh, R. V.
Kumar, R. Ranjith
Lakshman, P. L. Nilantha
Crystal structure of 7′-(4-chloro­phen­yl)-2′′-(4-meth­oxy­phen­yl)-7′,7a’,7′′,8′′-tetra­hydro-1′H,3′H,5′′H-di­spiro­[indoline-3,5′-pyrrolo­[1,2-c]thia­zole-6′,6′′-quinoline]-2,5′′-dione and an unknown solvent
title Crystal structure of 7′-(4-chloro­phen­yl)-2′′-(4-meth­oxy­phen­yl)-7′,7a’,7′′,8′′-tetra­hydro-1′H,3′H,5′′H-di­spiro­[indoline-3,5′-pyrrolo­[1,2-c]thia­zole-6′,6′′-quinoline]-2,5′′-dione and an unknown solvent
title_full Crystal structure of 7′-(4-chloro­phen­yl)-2′′-(4-meth­oxy­phen­yl)-7′,7a’,7′′,8′′-tetra­hydro-1′H,3′H,5′′H-di­spiro­[indoline-3,5′-pyrrolo­[1,2-c]thia­zole-6′,6′′-quinoline]-2,5′′-dione and an unknown solvent
title_fullStr Crystal structure of 7′-(4-chloro­phen­yl)-2′′-(4-meth­oxy­phen­yl)-7′,7a’,7′′,8′′-tetra­hydro-1′H,3′H,5′′H-di­spiro­[indoline-3,5′-pyrrolo­[1,2-c]thia­zole-6′,6′′-quinoline]-2,5′′-dione and an unknown solvent
title_full_unstemmed Crystal structure of 7′-(4-chloro­phen­yl)-2′′-(4-meth­oxy­phen­yl)-7′,7a’,7′′,8′′-tetra­hydro-1′H,3′H,5′′H-di­spiro­[indoline-3,5′-pyrrolo­[1,2-c]thia­zole-6′,6′′-quinoline]-2,5′′-dione and an unknown solvent
title_short Crystal structure of 7′-(4-chloro­phen­yl)-2′′-(4-meth­oxy­phen­yl)-7′,7a’,7′′,8′′-tetra­hydro-1′H,3′H,5′′H-di­spiro­[indoline-3,5′-pyrrolo­[1,2-c]thia­zole-6′,6′′-quinoline]-2,5′′-dione and an unknown solvent
title_sort crystal structure of 7′-(4-chloro­phen­yl)-2′′-(4-meth­oxy­phen­yl)-7′,7a’,7′′,8′′-tetra­hydro-1′h,3′h,5′′h-di­spiro­[indoline-3,5′-pyrrolo­[1,2-c]thia­zole-6′,6′′-quinoline]-2,5′′-dione and an unknown solvent
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362668/
https://www.ncbi.nlm.nih.gov/pubmed/30800449
http://dx.doi.org/10.1107/S2056989019000112
work_keys_str_mv AT vishnupriyar crystalstructureof74chlorophenyl24methoxyphenyl77a78tetrahydro1h3h5hdispiroindoline35pyrrolo12cthiazole66quinoline25dioneandanunknownsolvent
AT venkateshanm crystalstructureof74chlorophenyl24methoxyphenyl77a78tetrahydro1h3h5hdispiroindoline35pyrrolo12cthiazole66quinoline25dioneandanunknownsolvent
AT sureshj crystalstructureof74chlorophenyl24methoxyphenyl77a78tetrahydro1h3h5hdispiroindoline35pyrrolo12cthiazole66quinoline25dioneandanunknownsolvent
AT sumeshrv crystalstructureof74chlorophenyl24methoxyphenyl77a78tetrahydro1h3h5hdispiroindoline35pyrrolo12cthiazole66quinoline25dioneandanunknownsolvent
AT kumarrranjith crystalstructureof74chlorophenyl24methoxyphenyl77a78tetrahydro1h3h5hdispiroindoline35pyrrolo12cthiazole66quinoline25dioneandanunknownsolvent
AT lakshmanplnilantha crystalstructureof74chlorophenyl24methoxyphenyl77a78tetrahydro1h3h5hdispiroindoline35pyrrolo12cthiazole66quinoline25dioneandanunknownsolvent