Acta Crystallographica Section E

Structure Reports Online

Volume 70, Part 5 (May 2014)

organic compounds

nr2049 scheme

Acta Cryst. (2014). E70, o516-o517    [ doi:10.1107/S160053681400693X ]


I. Tiritiris, W. Frey and W. Kantlehner

Abstract: The C-N bond lengths in the guanidine unit of the title compound, C16H18N4O2, are 1.298 (2), 1.353 (2) and 1.401 (3) Å, indicating double- and single-bond character. The N-C-N angles are 115.81 (16), 118.90 (18) and 125.16 (18)°, showing a deviation of the CN3 plane from an ideal trigonal-planar geometry. In the crystal, C-H...O hydrogen bonds are observed between the methyl- and aromatic-H atoms and nitro-O atoms. One H atom of the phenyl ring and of the NMe2 group associate with the O atoms of the nitro group, giving chains along the a- and b-axis directions. Cross-linking of these two chains results in a two-dimensional network along bc.

CCDC reference: 994178

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