Cargando…

rac-1-[6-Hy­droxy-4-(4-meth­oxy­phen­yl)-3,6-dimethyl-4,5,6,7-tetra­hydro-2H-indazol-5-yl]ethanone

The title compound, C(18)H(22)N(2)O(3), represents a (4S,5R,6S)-stereoisomer, crystallizing as a racemate in a centrosymmetric space group. The six-membered aliphatic ring adopts a half-chair conformation, with the hy­droxy- and acetyl-substituted C atoms deviating by 0.458 (2) and −0.366 (2) Å, res...

Descripción completa

Detalles Bibliográficos
Autores principales: Potekhin, Konstantin A., Askerov, Rizvan K., Hajiyeva, Kushvar E., Gadirova, Narmina A., Nazarov, Shahkaram I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569776/
https://www.ncbi.nlm.nih.gov/pubmed/23424522
http://dx.doi.org/10.1107/S1600536813000937
_version_ 1782258960066150400
author Potekhin, Konstantin A.
Askerov, Rizvan K.
Hajiyeva, Kushvar E.
Gadirova, Narmina A.
Nazarov, Shahkaram I.
author_facet Potekhin, Konstantin A.
Askerov, Rizvan K.
Hajiyeva, Kushvar E.
Gadirova, Narmina A.
Nazarov, Shahkaram I.
author_sort Potekhin, Konstantin A.
collection PubMed
description The title compound, C(18)H(22)N(2)O(3), represents a (4S,5R,6S)-stereoisomer, crystallizing as a racemate in a centrosymmetric space group. The six-membered aliphatic ring adopts a half-chair conformation, with the hy­droxy- and acetyl-substituted C atoms deviating by 0.458 (2) and −0.366 (2) Å, respectively, from the plane defined by other four ring atoms. The pyrazole ring is essentially planar [r.m.s deviation = 0.004 (2) Å]. In the crystal, the mol­ecules are linked into chains along the b axis by N—H⋯N hydrogen bonds. The chains are linked by O—H⋯N hydrogen bonds into layers parallel to the bc plane.
format Online
Article
Text
id pubmed-3569776
institution National Center for Biotechnology Information
language English
publishDate 2013
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-35697762013-02-19 rac-1-[6-Hy­droxy-4-(4-meth­oxy­phen­yl)-3,6-dimethyl-4,5,6,7-tetra­hydro-2H-indazol-5-yl]ethanone Potekhin, Konstantin A. Askerov, Rizvan K. Hajiyeva, Kushvar E. Gadirova, Narmina A. Nazarov, Shahkaram I. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(18)H(22)N(2)O(3), represents a (4S,5R,6S)-stereoisomer, crystallizing as a racemate in a centrosymmetric space group. The six-membered aliphatic ring adopts a half-chair conformation, with the hy­droxy- and acetyl-substituted C atoms deviating by 0.458 (2) and −0.366 (2) Å, respectively, from the plane defined by other four ring atoms. The pyrazole ring is essentially planar [r.m.s deviation = 0.004 (2) Å]. In the crystal, the mol­ecules are linked into chains along the b axis by N—H⋯N hydrogen bonds. The chains are linked by O—H⋯N hydrogen bonds into layers parallel to the bc plane. International Union of Crystallography 2013-01-16 /pmc/articles/PMC3569776/ /pubmed/23424522 http://dx.doi.org/10.1107/S1600536813000937 Text en © Potekhin 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
Potekhin, Konstantin A.
Askerov, Rizvan K.
Hajiyeva, Kushvar E.
Gadirova, Narmina A.
Nazarov, Shahkaram I.
rac-1-[6-Hy­droxy-4-(4-meth­oxy­phen­yl)-3,6-dimethyl-4,5,6,7-tetra­hydro-2H-indazol-5-yl]ethanone
title rac-1-[6-Hy­droxy-4-(4-meth­oxy­phen­yl)-3,6-dimethyl-4,5,6,7-tetra­hydro-2H-indazol-5-yl]ethanone
title_full rac-1-[6-Hy­droxy-4-(4-meth­oxy­phen­yl)-3,6-dimethyl-4,5,6,7-tetra­hydro-2H-indazol-5-yl]ethanone
title_fullStr rac-1-[6-Hy­droxy-4-(4-meth­oxy­phen­yl)-3,6-dimethyl-4,5,6,7-tetra­hydro-2H-indazol-5-yl]ethanone
title_full_unstemmed rac-1-[6-Hy­droxy-4-(4-meth­oxy­phen­yl)-3,6-dimethyl-4,5,6,7-tetra­hydro-2H-indazol-5-yl]ethanone
title_short rac-1-[6-Hy­droxy-4-(4-meth­oxy­phen­yl)-3,6-dimethyl-4,5,6,7-tetra­hydro-2H-indazol-5-yl]ethanone
title_sort rac-1-[6-hy­droxy-4-(4-meth­oxy­phen­yl)-3,6-dimethyl-4,5,6,7-tetra­hydro-2h-indazol-5-yl]ethanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569776/
https://www.ncbi.nlm.nih.gov/pubmed/23424522
http://dx.doi.org/10.1107/S1600536813000937
work_keys_str_mv AT potekhinkonstantina rac16hydroxy44methoxyphenyl36dimethyl4567tetrahydro2hindazol5ylethanone
AT askerovrizvank rac16hydroxy44methoxyphenyl36dimethyl4567tetrahydro2hindazol5ylethanone
AT hajiyevakushvare rac16hydroxy44methoxyphenyl36dimethyl4567tetrahydro2hindazol5ylethanone
AT gadirovanarminaa rac16hydroxy44methoxyphenyl36dimethyl4567tetrahydro2hindazol5ylethanone
AT nazarovshahkarami rac16hydroxy44methoxyphenyl36dimethyl4567tetrahydro2hindazol5ylethanone