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...
Autores principales: | , , , , |
---|---|
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 |