Phthalazin-1(2H)-one–picric acid (1/1)

The geometric parameters of the title compound, C8H6N2O·C6H3N3O7, are in the usual ranges. The three nitro groups are almost coplanar with the aromatic picrate ring [dihedral angles 10.2 (2)°, 7.62 (16) and 8.08 (17)°]. The molecular conformation of the picric acid is stabilized by an intramolecular O-H...O hydrogen bond. The phthalazin-1(2H)-one molecules are connected via N-H...O hydrogen bonds, forming centrosymmetric dimers. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.002 Å; R factor = 0.034; wR factor = 0.091; data-to-parameter ratio = 11.1.

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Metadaten
Author:Hemmige S. Yathirajan, Badiadka Narayana, M. T. Swamy, Balladka Kunhanna Sarojini, Michael Bolte
URN:urn:nbn:de:hebis:30-69790
Document Type:Article
Language:English
Date of Publication (online):06.12.2007
Date of first Publication:06.12.2007
Publishing Institution:Univ.-Bibliothek Frankfurt am Main
Source:Acta Crystallographica Section E, Structure Reports Online, 2008, E64, o119 ; doi:10.1107/S1600536807063362
HeBIS PPN:218273452
Institutes:Biochemie und Chemie
Dewey Decimal Classification:540 Chemie und zugeordnete Wissenschaften
Sammlungen:Universitätspublikationen
Note:
This is an open-access article distributed under the terms of the Creative Commons Attribution Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Licence (German):License LogoCreative Commons - Namensnennung 2.0

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