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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 (...

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Autores principales: Lamera, Esma, Benzerka, Saida, Bouraiou, Abdelmalek, Bouacida, Sofiane, Merazig, Hocine, Chibani, Aissa, Le Borgne, Marc, Bouaziz, Zouhair
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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