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Crystal structure of 13-(2-methoxyphenyl)-3,4-dihydro-2H-indazolo[1,2-b]phthalazine-1,6,11(13H)-trione
In the title compound, C(22)H(18)N(2)O(4), the three fused rings of the pyrazolophthalazine moiety are coplanar (r.m.s. deviation = 0.027 Å). The cyclohexene ring fused to the pyrazolidine ring, so forming the indazolophthalazine unit, has a half-chair conformation. The benzene ring is almost norm...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571420/ https://www.ncbi.nlm.nih.gov/pubmed/26396820 http://dx.doi.org/10.1107/S2056989015013894 |
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author | Bouraiou, Abdelmalek Bouacida, Sofiane Merazig, Hocine Chibani, Aissa Bouaziz, Zouhair |
author_facet | Bouraiou, Abdelmalek Bouacida, Sofiane Merazig, Hocine Chibani, Aissa Bouaziz, Zouhair |
author_sort | Bouraiou, Abdelmalek |
collection | PubMed |
description | In the title compound, C(22)H(18)N(2)O(4), the three fused rings of the pyrazolophthalazine moiety are coplanar (r.m.s. deviation = 0.027 Å). The cyclohexene ring fused to the pyrazolidine ring, so forming the indazolophthalazine unit, has a half-chair conformation. The benzene ring is almost normal to the mean plane of the pyrazolophthalazine moiety, with a dihedral angle of 87.21 (6)° between their planes. In the crystal, molecules are linked by pairs of C—H⋯O hydrogen bonds forming inversion dimers. The dimers are linked via C—H⋯π interactions, forming slabs parallel to (100). Between the slabs there are weak π–π interactions [shortest inter-centroid distance = 3.6664 (9) Å], leading to the formation of a three-dimensional structure. |
format | Online Article Text |
id | pubmed-4571420 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45714202015-09-22 Crystal structure of 13-(2-methoxyphenyl)-3,4-dihydro-2H-indazolo[1,2-b]phthalazine-1,6,11(13H)-trione Bouraiou, Abdelmalek Bouacida, Sofiane Merazig, Hocine Chibani, Aissa Bouaziz, Zouhair Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(22)H(18)N(2)O(4), the three fused rings of the pyrazolophthalazine moiety are coplanar (r.m.s. deviation = 0.027 Å). The cyclohexene ring fused to the pyrazolidine ring, so forming the indazolophthalazine unit, has a half-chair conformation. The benzene ring is almost normal to the mean plane of the pyrazolophthalazine moiety, with a dihedral angle of 87.21 (6)° between their planes. In the crystal, molecules are linked by pairs of C—H⋯O hydrogen bonds forming inversion dimers. The dimers are linked via C—H⋯π interactions, forming slabs parallel to (100). Between the slabs there are weak π–π interactions [shortest inter-centroid distance = 3.6664 (9) Å], leading to the formation of a three-dimensional structure. International Union of Crystallography 2015-07-25 /pmc/articles/PMC4571420/ /pubmed/26396820 http://dx.doi.org/10.1107/S2056989015013894 Text en © Bouraiou et al. 2015 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 | Data Reports Bouraiou, Abdelmalek Bouacida, Sofiane Merazig, Hocine Chibani, Aissa Bouaziz, Zouhair Crystal structure of 13-(2-methoxyphenyl)-3,4-dihydro-2H-indazolo[1,2-b]phthalazine-1,6,11(13H)-trione |
title | Crystal structure of 13-(2-methoxyphenyl)-3,4-dihydro-2H-indazolo[1,2-b]phthalazine-1,6,11(13H)-trione |
title_full | Crystal structure of 13-(2-methoxyphenyl)-3,4-dihydro-2H-indazolo[1,2-b]phthalazine-1,6,11(13H)-trione |
title_fullStr | Crystal structure of 13-(2-methoxyphenyl)-3,4-dihydro-2H-indazolo[1,2-b]phthalazine-1,6,11(13H)-trione |
title_full_unstemmed | Crystal structure of 13-(2-methoxyphenyl)-3,4-dihydro-2H-indazolo[1,2-b]phthalazine-1,6,11(13H)-trione |
title_short | Crystal structure of 13-(2-methoxyphenyl)-3,4-dihydro-2H-indazolo[1,2-b]phthalazine-1,6,11(13H)-trione |
title_sort | crystal structure of 13-(2-methoxyphenyl)-3,4-dihydro-2h-indazolo[1,2-b]phthalazine-1,6,11(13h)-trione |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571420/ https://www.ncbi.nlm.nih.gov/pubmed/26396820 http://dx.doi.org/10.1107/S2056989015013894 |
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