Cargando…

4-(3-Phenyl-3,3a,4,5-tetra­hydro-2H-benzo[g]indazol-2-yl)benzene­sulfonamide ethanol monosolvate

In the title compound ethanol monosolvate, C(23)H(21)N(3)O(2)S·C(2)H(5)OH, the dihydro­pyrazole ring is twisted about the Csp (3)—Csp (3) bond. Nevertheless, the ring approximates a plane (r.m.s. deviation for the fitted atoms = 0.132 Å) and forms dihedral angles of 5.80 (13) and 12.29 (12)°, respec...

Descripción completa

Detalles Bibliográficos
Autores principales: Asiri, Abdullah M., Faidallah, Hassan M., Alamry, Khalid A., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394043/
https://www.ncbi.nlm.nih.gov/pubmed/22798908
http://dx.doi.org/10.1107/S1600536812028474
_version_ 1782237810233704448
author Asiri, Abdullah M.
Faidallah, Hassan M.
Alamry, Khalid A.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Asiri, Abdullah M.
Faidallah, Hassan M.
Alamry, Khalid A.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Asiri, Abdullah M.
collection PubMed
description In the title compound ethanol monosolvate, C(23)H(21)N(3)O(2)S·C(2)H(5)OH, the dihydro­pyrazole ring is twisted about the Csp (3)—Csp (3) bond. Nevertheless, the ring approximates a plane (r.m.s. deviation for the fitted atoms = 0.132 Å) and forms dihedral angles of 5.80 (13) and 12.29 (12)°, respectively, with the fused- and sulfonamide-benzene rings. As the dihydro­pyrazole C-bound phenyl group is roughly perpendicular to the dihydro­pyrazole ring [dihedral angle = 74.04 (15)°; the amino group is orientated to the same side of the mol­ecule], to a first approximation, the mol­ecule has a stunted T-shape. The cyclo­hexene ring adopts a half-chair conformation with the methyl­ene C atom connected to the dihydro­pyrazole ring lying 0.665 (4) Å out of the plane of the five remaining atoms (r.m.s. deviation = 0.050 Å). The components of the asymmetric unit are connected by an O—H⋯O hydrogen bond. Further links between mol­ecules leading to a three-dimensional architecture are of the type N—H⋯O.
format Online
Article
Text
id pubmed-3394043
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-33940432012-07-13 4-(3-Phenyl-3,3a,4,5-tetra­hydro-2H-benzo[g]indazol-2-yl)benzene­sulfonamide ethanol monosolvate Asiri, Abdullah M. Faidallah, Hassan M. Alamry, Khalid A. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound ethanol monosolvate, C(23)H(21)N(3)O(2)S·C(2)H(5)OH, the dihydro­pyrazole ring is twisted about the Csp (3)—Csp (3) bond. Nevertheless, the ring approximates a plane (r.m.s. deviation for the fitted atoms = 0.132 Å) and forms dihedral angles of 5.80 (13) and 12.29 (12)°, respectively, with the fused- and sulfonamide-benzene rings. As the dihydro­pyrazole C-bound phenyl group is roughly perpendicular to the dihydro­pyrazole ring [dihedral angle = 74.04 (15)°; the amino group is orientated to the same side of the mol­ecule], to a first approximation, the mol­ecule has a stunted T-shape. The cyclo­hexene ring adopts a half-chair conformation with the methyl­ene C atom connected to the dihydro­pyrazole ring lying 0.665 (4) Å out of the plane of the five remaining atoms (r.m.s. deviation = 0.050 Å). The components of the asymmetric unit are connected by an O—H⋯O hydrogen bond. Further links between mol­ecules leading to a three-dimensional architecture are of the type N—H⋯O. International Union of Crystallography 2012-06-30 /pmc/articles/PMC3394043/ /pubmed/22798908 http://dx.doi.org/10.1107/S1600536812028474 Text en © Asiri et al. 2012 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
Asiri, Abdullah M.
Faidallah, Hassan M.
Alamry, Khalid A.
Ng, Seik Weng
Tiekink, Edward R. T.
4-(3-Phenyl-3,3a,4,5-tetra­hydro-2H-benzo[g]indazol-2-yl)benzene­sulfonamide ethanol monosolvate
title 4-(3-Phenyl-3,3a,4,5-tetra­hydro-2H-benzo[g]indazol-2-yl)benzene­sulfonamide ethanol monosolvate
title_full 4-(3-Phenyl-3,3a,4,5-tetra­hydro-2H-benzo[g]indazol-2-yl)benzene­sulfonamide ethanol monosolvate
title_fullStr 4-(3-Phenyl-3,3a,4,5-tetra­hydro-2H-benzo[g]indazol-2-yl)benzene­sulfonamide ethanol monosolvate
title_full_unstemmed 4-(3-Phenyl-3,3a,4,5-tetra­hydro-2H-benzo[g]indazol-2-yl)benzene­sulfonamide ethanol monosolvate
title_short 4-(3-Phenyl-3,3a,4,5-tetra­hydro-2H-benzo[g]indazol-2-yl)benzene­sulfonamide ethanol monosolvate
title_sort 4-(3-phenyl-3,3a,4,5-tetra­hydro-2h-benzo[g]indazol-2-yl)benzene­sulfonamide ethanol monosolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394043/
https://www.ncbi.nlm.nih.gov/pubmed/22798908
http://dx.doi.org/10.1107/S1600536812028474
work_keys_str_mv AT asiriabdullahm 43phenyl33a45tetrahydro2hbenzogindazol2ylbenzenesulfonamideethanolmonosolvate
AT faidallahhassanm 43phenyl33a45tetrahydro2hbenzogindazol2ylbenzenesulfonamideethanolmonosolvate
AT alamrykhalida 43phenyl33a45tetrahydro2hbenzogindazol2ylbenzenesulfonamideethanolmonosolvate
AT ngseikweng 43phenyl33a45tetrahydro2hbenzogindazol2ylbenzenesulfonamideethanolmonosolvate
AT tiekinkedwardrt 43phenyl33a45tetrahydro2hbenzogindazol2ylbenzenesulfonamideethanolmonosolvate