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Crystal structure of 13-phenyl-2,3,4,13-tetrahydro-1H-indazolo[1,2-b]phthalazine-1,6,11-trione
The title compound, C(21)H(16)N(2)O(3), consists of an indazolone moiety, bearing a phenyl group, fused to a phthalazine ring system (r.m.s. deviation = 0.018 Å). The phenyl ring is almost normal to the mean plane of the five-membered ring of the indazolone moiety, making a dihedral angle of 89.64 (...
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/PMC4719966/ https://www.ncbi.nlm.nih.gov/pubmed/26870485 http://dx.doi.org/10.1107/S2056989015023452 |
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author | Lamera, Esma Benzerka, Saida Bouraiou, Abdelmalek Bouacida, Sofiane Merazig, Hocine Chibani, Aissa Le Borgne, Marc Bouaziz, Zouhair |
author_facet | Lamera, Esma Benzerka, Saida Bouraiou, Abdelmalek Bouacida, Sofiane Merazig, Hocine Chibani, Aissa Le Borgne, Marc Bouaziz, Zouhair |
author_sort | Lamera, Esma |
collection | PubMed |
description | The title compound, C(21)H(16)N(2)O(3), consists of an indazolone moiety, bearing a phenyl group, fused to a phthalazine ring system (r.m.s. deviation = 0.018 Å). The phenyl ring is almost normal to the mean plane of the five-membered ring of the indazolone moiety, making a dihedral angle of 89.64 (7)°. The six-membered ring of the indazolone moiety has an envelope conformation, with the central methylene C atom as the flap. In the crystal, molecules are linked via C—H⋯O hydrogen bonds, forming slabs parallel to the bc plane. The slabs are linked via C—H⋯π and π–π interactions [the shortest inter-centroid distance involving rings of pyrazolophthalazine moieties is 3.6430 (8) Å], forming a three-dimensional structure. |
format | Online Article Text |
id | pubmed-4719966 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47199662016-02-11 Crystal structure of 13-phenyl-2,3,4,13-tetrahydro-1H-indazolo[1,2-b]phthalazine-1,6,11-trione Lamera, Esma Benzerka, Saida Bouraiou, Abdelmalek Bouacida, Sofiane Merazig, Hocine Chibani, Aissa Le Borgne, Marc Bouaziz, Zouhair Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(21)H(16)N(2)O(3), consists of an indazolone moiety, bearing a phenyl group, fused to a phthalazine ring system (r.m.s. deviation = 0.018 Å). The phenyl ring is almost normal to the mean plane of the five-membered ring of the indazolone moiety, making a dihedral angle of 89.64 (7)°. The six-membered ring of the indazolone moiety has an envelope conformation, with the central methylene C atom as the flap. In the crystal, molecules are linked via C—H⋯O hydrogen bonds, forming slabs parallel to the bc plane. The slabs are linked via C—H⋯π and π–π interactions [the shortest inter-centroid distance involving rings of pyrazolophthalazine moieties is 3.6430 (8) Å], forming a three-dimensional structure. International Union of Crystallography 2015-12-12 /pmc/articles/PMC4719966/ /pubmed/26870485 http://dx.doi.org/10.1107/S2056989015023452 Text en © Lemara 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 Lamera, Esma Benzerka, Saida Bouraiou, Abdelmalek Bouacida, Sofiane Merazig, Hocine Chibani, Aissa Le Borgne, Marc Bouaziz, Zouhair Crystal structure of 13-phenyl-2,3,4,13-tetrahydro-1H-indazolo[1,2-b]phthalazine-1,6,11-trione |
title | Crystal structure of 13-phenyl-2,3,4,13-tetrahydro-1H-indazolo[1,2-b]phthalazine-1,6,11-trione |
title_full | Crystal structure of 13-phenyl-2,3,4,13-tetrahydro-1H-indazolo[1,2-b]phthalazine-1,6,11-trione |
title_fullStr | Crystal structure of 13-phenyl-2,3,4,13-tetrahydro-1H-indazolo[1,2-b]phthalazine-1,6,11-trione |
title_full_unstemmed | Crystal structure of 13-phenyl-2,3,4,13-tetrahydro-1H-indazolo[1,2-b]phthalazine-1,6,11-trione |
title_short | Crystal structure of 13-phenyl-2,3,4,13-tetrahydro-1H-indazolo[1,2-b]phthalazine-1,6,11-trione |
title_sort | crystal structure of 13-phenyl-2,3,4,13-tetrahydro-1h-indazolo[1,2-b]phthalazine-1,6,11-trione |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719966/ https://www.ncbi.nlm.nih.gov/pubmed/26870485 http://dx.doi.org/10.1107/S2056989015023452 |
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