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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Author:Hemmige S. Yathirajan, Badiadka Narayana, M. T. Swamy, Balladka Kunhanna Sarojini, Michael BolteORCiD
Parent Title (English):Acta crystallographica / Section E, Structure reports online
Document Type:Article
Year of Completion:2007
Year of first Publication:2007
Publishing Institution:Universitätsbibliothek Johann Christian Senckenberg
Release Date:2009/09/07
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.
Source:Acta Crystallographica Section E, Structure Reports Online, 2008, E64, o119 ; doi:10.1107/S1600536807063362
Institutes:Biochemie, Chemie und Pharmazie / Biochemie und Chemie
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Licence (German):License LogoCreative Commons - Namensnennung 2.0