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Crystal structure of 2-phenyl-ethyl-amin-ium 4-nitro-phenolate monohydrate.

ABSTRACT: In the title hydrated mol-ecular salt, C8H12N(+)·C6H4NO3 (-)·H2O, the conformation of the side chain in the cation is anti [C-C-C-N = 179.62?(12)°] and the dihedral angle between the aromatic ring and the nitro group in the anion is 3.34?(11)°. In the crystal, the components are linked by O-H?O and N-H?O hydrogen bonds, generating (10-1) sheets, which feature R 4 (4)(21) loops. The sheets inter-act by weak aromatic ?-? stacking inter-actions [centroid-centroid distance = 3.896?(3)?Å], forming a three-dimensional network.

SUBMITTER: Sowmya NS

PROVIDER: S-EPMC4257380 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of 2-phenyl-ethyl-amin-ium 4-nitro-phenolate monohydrate.

Sowmya N Swarna NS Sampathkrishnan S S Sudhahar S S Kumar R Mohan RM Chakkaravarthi G G

Acta crystallographica. Section E, Structure reports online 20141121 Pt 12

In the title hydrated mol-ecular salt, C8H12N(+)·C6H4NO3 (-)·H2O, the conformation of the side chain in the cation is anti [C-C-C-N = 179.62 (12)°] and the dihedral angle between the aromatic ring and the nitro group in the anion is 3.34 (11)°. In the crystal, the components are linked by O-H⋯O and N-H⋯O hydrogen bonds, generating (10-1) sheets, which feature R 4 (4)(21) loops. The sheets inter-act by weak aromatic π-π stacking inter-actions [centroid-centroid distance = 3.896 (3) Å], forming a ...[more]

PMID: 25553045

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