Structure and spectroscopic properties of 2-(N,N-dimethylaminomethyl)-4-nitrophenol

doi:10.1007/BF01171045

Paper

Structure and spectroscopic properties of 2-(N,N-dimethylaminomethyl)-4-nitrophenol

Published Oct 1, 1985 · A. Koll, T. Głowiak

Journal of Crystallographic and Spectroscopic Research

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Abstract

The crystal structure of 2-(N,N-dimethylaminomethyl)-4-nitrophenol, C_9H_12N_2O_3 has been determined by X-ray diffraction methods. The crystals are monoclinic;C2/c (No. 15),a=23.437(6),b=5.334(2),c=17.444(4) Å,β=119.90(5)°,Z=8. The structure was solved by direct methods, and refined to anR value of 0.032 for 1095 nonzero independent amplitudes. Molecules of the title compound are found to exist in a zwitterionic form. Differences in hydrogen bonding in solution and in the solid phase are discussed. In nonpolar and weakly polar solvents, intramolecular O-H⋯N hydrogen bonding is predominating. In the solid state, two N^+-H⋯O^− bonds related through an inversion center form a cyclic dimer.

Study Snapshot

The crystal structure of 2-(N,N-dimethylaminomethyl)-4-nitrophenol reveals a zwitterionic form with intramolecular O-HN hydrogen bonding in nonpolar and weakly polar solvents, and a cyclic dimer in the solid state.

PopulationOlder adults (50-71 years)

Sample size24

MethodsObservational

OutcomesBody Mass Index projections

ResultsSocial networks mitigate obesity in older groups.

Structure and spectroscopic properties of 2-(N,N-dimethylaminomethyl)-4-nitrophenol

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