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N,N,N'-Trimethyl-N''-(4-nitro-phen-yl)-N'-phenyl-guanidine.

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.

SUBMITTER: Tiritiris I

PROVIDER: S-EPMC4011204 | biostudies-other | 2014 May

REPOSITORIES: biostudies-other

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N,N,N'-Trimethyl-N''-(4-nitro-phen-yl)-N'-phenyl-guanidine.

Tiritiris Ioannis I Frey Wolfgang W Kantlehner Willi W

Acta crystallographica. Section E, Structure reports online 20140405 Pt 5

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 t ...[more]

PMID: 24860331

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