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

Sowmya NS, Sampathkrishnan S, Sudhahar S, Kumar RM, Chakkaravarthi G - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: 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 three-dimensional network.

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Affiliation: Department of Applied Physics, Sri Venkateswara College of Engineering, Chennai 602 117, India.

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 π-π stacking inter-actions [centroid-centroid distance = 3.896 (3) Å], forming a three-dimensional network.

No MeSH data available.


The molecular structure of (I), with 30% probability displacement ellipsoids for non-H atoms.
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Fap1: The molecular structure of (I), with 30% probability displacement ellipsoids for non-H atoms.


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

Sowmya NS, Sampathkrishnan S, Sudhahar S, Kumar RM, Chakkaravarthi G - Acta Crystallogr Sect E Struct Rep Online (2014)

The molecular structure of (I), with 30% probability displacement ellipsoids for non-H atoms.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257380&req=5

Fap1: The molecular structure of (I), with 30% probability displacement ellipsoids for non-H atoms.
Bottom Line: 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 three-dimensional network.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Applied Physics, Sri Venkateswara College of Engineering, Chennai 602 117, India.

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 π-π stacking inter-actions [centroid-centroid distance = 3.896 (3) Å], forming a three-dimensional network.

No MeSH data available.