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1′-(1,3-Diphenyl-1H-pyrazol-4-yl)-1′′-(prop-2-en-1-yl)-2′,3′,5′,6′,7′,7a’-hexa­hydro-1′H-di­spiro­[1-benzo­pyran-3,2′-pyrrolizine-3′,3′′-indoline]-2′′,4-dione 0.75-hydrate

In the central aza-bi­cyclo­octane unit of the title compound, C(40)H(34)N(4)O(3)·0.75H(2)O, the peripheral pyrrolidine ring adopts an envelope conformation with the N atom deviating by 0.209 (2) Å, whereas the other pyrrolidine ring adopts a twisted conformation with the bridging N and C atoms devi...

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Autores principales: Jagadeesan, G., Kathirvelan, D., Haribabu, J., Reddy, B. S. R., Sethusankar, K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793707/
https://www.ncbi.nlm.nih.gov/pubmed/24109294
http://dx.doi.org/10.1107/S160053681301773X
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author Jagadeesan, G.
Kathirvelan, D.
Haribabu, J.
Reddy, B. S. R.
Sethusankar, K.
author_facet Jagadeesan, G.
Kathirvelan, D.
Haribabu, J.
Reddy, B. S. R.
Sethusankar, K.
author_sort Jagadeesan, G.
collection PubMed
description In the central aza-bi­cyclo­octane unit of the title compound, C(40)H(34)N(4)O(3)·0.75H(2)O, the peripheral pyrrolidine ring adopts an envelope conformation with the N atom deviating by 0.209 (2) Å, whereas the other pyrrolidine ring adopts a twisted conformation with the bridging N and C atoms deviating by −0.218 (2) and 0.236 (3) Å, respectively, from the rest of the ring. The pyrazole ring forms dihedral angles of 42.36 (7) and 24.07 (8)° with its C- and N-attached phenyl groups, respectively. The solvent water mol­ecule has a partial occupancy of 0.75. In the crystal, the water mol­ecules link the fused-ring mol­ecules into chains along the b axis via O—H⋯N and O—H⋯O hydrogen bonds. The crystal packing is further stabilized by C—H⋯π inter­actions involving a methyl­ene group of the pyran ring and the C-attached benzene ring on the pyrazole ring.
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spelling pubmed-37937072013-10-09 1′-(1,3-Diphenyl-1H-pyrazol-4-yl)-1′′-(prop-2-en-1-yl)-2′,3′,5′,6′,7′,7a’-hexa­hydro-1′H-di­spiro­[1-benzo­pyran-3,2′-pyrrolizine-3′,3′′-indoline]-2′′,4-dione 0.75-hydrate Jagadeesan, G. Kathirvelan, D. Haribabu, J. Reddy, B. S. R. Sethusankar, K. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the central aza-bi­cyclo­octane unit of the title compound, C(40)H(34)N(4)O(3)·0.75H(2)O, the peripheral pyrrolidine ring adopts an envelope conformation with the N atom deviating by 0.209 (2) Å, whereas the other pyrrolidine ring adopts a twisted conformation with the bridging N and C atoms deviating by −0.218 (2) and 0.236 (3) Å, respectively, from the rest of the ring. The pyrazole ring forms dihedral angles of 42.36 (7) and 24.07 (8)° with its C- and N-attached phenyl groups, respectively. The solvent water mol­ecule has a partial occupancy of 0.75. In the crystal, the water mol­ecules link the fused-ring mol­ecules into chains along the b axis via O—H⋯N and O—H⋯O hydrogen bonds. The crystal packing is further stabilized by C—H⋯π inter­actions involving a methyl­ene group of the pyran ring and the C-attached benzene ring on the pyrazole ring. International Union of Crystallography 2013-07-03 /pmc/articles/PMC3793707/ /pubmed/24109294 http://dx.doi.org/10.1107/S160053681301773X Text en © Jagadeesan et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Jagadeesan, G.
Kathirvelan, D.
Haribabu, J.
Reddy, B. S. R.
Sethusankar, K.
1′-(1,3-Diphenyl-1H-pyrazol-4-yl)-1′′-(prop-2-en-1-yl)-2′,3′,5′,6′,7′,7a’-hexa­hydro-1′H-di­spiro­[1-benzo­pyran-3,2′-pyrrolizine-3′,3′′-indoline]-2′′,4-dione 0.75-hydrate
title 1′-(1,3-Diphenyl-1H-pyrazol-4-yl)-1′′-(prop-2-en-1-yl)-2′,3′,5′,6′,7′,7a’-hexa­hydro-1′H-di­spiro­[1-benzo­pyran-3,2′-pyrrolizine-3′,3′′-indoline]-2′′,4-dione 0.75-hydrate
title_full 1′-(1,3-Diphenyl-1H-pyrazol-4-yl)-1′′-(prop-2-en-1-yl)-2′,3′,5′,6′,7′,7a’-hexa­hydro-1′H-di­spiro­[1-benzo­pyran-3,2′-pyrrolizine-3′,3′′-indoline]-2′′,4-dione 0.75-hydrate
title_fullStr 1′-(1,3-Diphenyl-1H-pyrazol-4-yl)-1′′-(prop-2-en-1-yl)-2′,3′,5′,6′,7′,7a’-hexa­hydro-1′H-di­spiro­[1-benzo­pyran-3,2′-pyrrolizine-3′,3′′-indoline]-2′′,4-dione 0.75-hydrate
title_full_unstemmed 1′-(1,3-Diphenyl-1H-pyrazol-4-yl)-1′′-(prop-2-en-1-yl)-2′,3′,5′,6′,7′,7a’-hexa­hydro-1′H-di­spiro­[1-benzo­pyran-3,2′-pyrrolizine-3′,3′′-indoline]-2′′,4-dione 0.75-hydrate
title_short 1′-(1,3-Diphenyl-1H-pyrazol-4-yl)-1′′-(prop-2-en-1-yl)-2′,3′,5′,6′,7′,7a’-hexa­hydro-1′H-di­spiro­[1-benzo­pyran-3,2′-pyrrolizine-3′,3′′-indoline]-2′′,4-dione 0.75-hydrate
title_sort 1′-(1,3-diphenyl-1h-pyrazol-4-yl)-1′′-(prop-2-en-1-yl)-2′,3′,5′,6′,7′,7a’-hexa­hydro-1′h-di­spiro­[1-benzo­pyran-3,2′-pyrrolizine-3′,3′′-indoline]-2′′,4-dione 0.75-hydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793707/
https://www.ncbi.nlm.nih.gov/pubmed/24109294
http://dx.doi.org/10.1107/S160053681301773X
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