Cargando…

1-(5-Hydr­oxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone: a new monoclinic polymorph

The title compound, C(12)H(12)N(2)O(2), crystallized in the monolinic space group P2(1)/n, with two independent mol­ecules (A and B) in the asymmetric unit. This is in contrast to the first monoclinic polymorph reported [Cingolani et al. (2002 ▶). Inorg. Chem. 41, 1151–116], which crystallized in th...

Descripción completa

Detalles Bibliográficos
Autores principales: Sheikh, Tasneem Ullah, Khan, Misbahul Ain, Arshad, Muhammad Nadeem, Khan, Islam Ullah, Stoeckli-Evans, Helen
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968401/
https://www.ncbi.nlm.nih.gov/pubmed/21581934
http://dx.doi.org/10.1107/S1600536809001470
_version_ 1782189864736784384
author Sheikh, Tasneem Ullah
Khan, Misbahul Ain
Arshad, Muhammad Nadeem
Khan, Islam Ullah
Stoeckli-Evans, Helen
author_facet Sheikh, Tasneem Ullah
Khan, Misbahul Ain
Arshad, Muhammad Nadeem
Khan, Islam Ullah
Stoeckli-Evans, Helen
author_sort Sheikh, Tasneem Ullah
collection PubMed
description The title compound, C(12)H(12)N(2)O(2), crystallized in the monolinic space group P2(1)/n, with two independent mol­ecules (A and B) in the asymmetric unit. This is in contrast to the first monoclinic polymorph reported [Cingolani et al. (2002 ▶). Inorg. Chem. 41, 1151–116], which crystallized in the space group C2/c with one independent mol­ecule per asymmetric unit. The dihedral angles between the two rings differ slightly; in mol­ecule A it is 4.90 (11)° and in mol­ecule B it is 16.05 (13)°. In both mol­ecules, there is an intra­molecular O—H⋯O hydrogen bond involving the hydroxyl substituent and the carbonyl O atom of the adjacent acetyl group. In the crystal structure, mol­ecules A and B are linked via a C—H⋯N inter­action. There are also some weak C—H⋯π inter­actions involving the phenyl ring of mol­ecule A and H atoms of the acetyl groups of both mol­ecules.
format Text
id pubmed-2968401
institution National Center for Biotechnology Information
language English
publishDate 2009
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29684012010-12-30 1-(5-Hydr­oxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone: a new monoclinic polymorph Sheikh, Tasneem Ullah Khan, Misbahul Ain Arshad, Muhammad Nadeem Khan, Islam Ullah Stoeckli-Evans, Helen Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(12)H(12)N(2)O(2), crystallized in the monolinic space group P2(1)/n, with two independent mol­ecules (A and B) in the asymmetric unit. This is in contrast to the first monoclinic polymorph reported [Cingolani et al. (2002 ▶). Inorg. Chem. 41, 1151–116], which crystallized in the space group C2/c with one independent mol­ecule per asymmetric unit. The dihedral angles between the two rings differ slightly; in mol­ecule A it is 4.90 (11)° and in mol­ecule B it is 16.05 (13)°. In both mol­ecules, there is an intra­molecular O—H⋯O hydrogen bond involving the hydroxyl substituent and the carbonyl O atom of the adjacent acetyl group. In the crystal structure, mol­ecules A and B are linked via a C—H⋯N inter­action. There are also some weak C—H⋯π inter­actions involving the phenyl ring of mol­ecule A and H atoms of the acetyl groups of both mol­ecules. International Union of Crystallography 2009-01-17 /pmc/articles/PMC2968401/ /pubmed/21581934 http://dx.doi.org/10.1107/S1600536809001470 Text en © Sheikh et al. 2009 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
Sheikh, Tasneem Ullah
Khan, Misbahul Ain
Arshad, Muhammad Nadeem
Khan, Islam Ullah
Stoeckli-Evans, Helen
1-(5-Hydr­oxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone: a new monoclinic polymorph
title 1-(5-Hydr­oxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone: a new monoclinic polymorph
title_full 1-(5-Hydr­oxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone: a new monoclinic polymorph
title_fullStr 1-(5-Hydr­oxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone: a new monoclinic polymorph
title_full_unstemmed 1-(5-Hydr­oxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone: a new monoclinic polymorph
title_short 1-(5-Hydr­oxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone: a new monoclinic polymorph
title_sort 1-(5-hydr­oxy-3-methyl-1-phenyl-1h-pyrazol-4-yl)ethanone: a new monoclinic polymorph
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968401/
https://www.ncbi.nlm.nih.gov/pubmed/21581934
http://dx.doi.org/10.1107/S1600536809001470
work_keys_str_mv AT sheikhtasneemullah 15hydroxy3methyl1phenyl1hpyrazol4ylethanoneanewmonoclinicpolymorph
AT khanmisbahulain 15hydroxy3methyl1phenyl1hpyrazol4ylethanoneanewmonoclinicpolymorph
AT arshadmuhammadnadeem 15hydroxy3methyl1phenyl1hpyrazol4ylethanoneanewmonoclinicpolymorph
AT khanislamullah 15hydroxy3methyl1phenyl1hpyrazol4ylethanoneanewmonoclinicpolymorph
AT stoecklievanshelen 15hydroxy3methyl1phenyl1hpyrazol4ylethanoneanewmonoclinicpolymorph