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Crystal structure of 13-phenyl-2,3,4,13-tetra-hydro-1H-indazolo1,2-bphthalazine-1,6,11-trione
The title compound, C21H16N2O3, 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...
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Published in: | Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2015-12, Vol.71 (Pt 12), p.o1036 |
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Main Authors: | , , , , , , , |
Format: | Article |
Language: | English |
Online Access: | Get full text |
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Summary: | The title compound, C21H16N2O3, 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 methyl-ene C atom as the flap. In the crystal, mol-ecules 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 inter-actions [the shortest inter-centroid distance involving rings of pyrazolo-phthalazine moieties is 3.6430 (8) Å], forming a three-dimensional structure.The title compound, C21H16N2O3, 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 methyl-ene C atom as the flap. In the crystal, mol-ecules 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 inter-actions [the shortest inter-centroid distance involving rings of pyrazolo-phthalazine moieties is 3.6430 (8) Å], forming a three-dimensional structure. |
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ISSN: | 2056-9890 2056-9890 |
DOI: | 10.1107/S2056989015023452 |