Publication

Structural studies and spectral characteristics of 4-benzoylpyridine thiosemicarbazone and N(4 ')-phenyl-4-benzoylpyridine thiosemicarbazone

Gervais Chapuis
2003
Journal Articles

Abstract

4-benzoylpyridine thiosemicarbazone (H(4)Bz(4)DH) and N(4')-phenyl-4-benzoylpyridine thiosemicarbazone (H4Bz4Ph) were obtained and fully characterized by infrared, UV and NMR spectroscopies. The assignment of the NMR signals was made by using DEPT135 and the HMQC heteronuclear correlation technique. X-ray diffraction studies have shown the presence of a water molecule in the crystal structure of both compounds as well as the protonation of the pyridine nitrogen. Moreover, a Cl- counter-ion was evidenced in the crystal structure of H4Bz4DH and an HSO4- ion in the structure of H4Bz4Ph. Refined structures of both compounds are included and the X-ray crystallographic studies can be summarized as follows: H4Bz4DH(+)Cl(-).H2O crystallizes with triclinic symmetry, space group P1, with a = 9.159(2), b = 9.749(2) and C = 17.787(4) Angstrom, alpha = 81.75(3), beta = 81.24(3) and gamma = 69.41(3)degrees and Z = 4. H4Bz4Ph(+)HSO(4)(-).H2O crystals have monoclinic symmetry, space group C2/c, with a = 32.767(7), b = 10.149(2) and c = 12.763(3) Angstrom, beta = 99.23(3)degrees and Z = 8. (C) 2002 Elsevier Science B.V. All rights reserved.

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https://infoscience.epfl.ch/entities/publication/e4f51ea4-afe9-459c-9038-ee6f9f2272d0

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Gervais Chapuis
2003
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/e4f51ea4-afe9-459c-9038-ee6f9f2272d0

About this result

Related concepts (32)

Crystal structure

In crystallography, crystal structure is a description of the ordered arrangement of atoms, ions, or molecules in a crystalline material. Ordered structures occur from the intrinsic nature of the constituent particles to form symmetric patterns that repeat along the principal directions of three-dimensional space in matter. The smallest group of particles in the material that constitutes this repeating pattern is the unit cell of the structure.

X-ray crystallography

X-ray crystallography is the experimental science determining the atomic and molecular structure of a crystal, in which the crystalline structure causes a beam of incident X-rays to diffract into many specific directions. By measuring the angles and intensities of these diffracted beams, a crystallographer can produce a three-dimensional picture of the density of electrons within the crystal. From this electron density, the mean positions of the atoms in the crystal can be determined, as well as their chemical bonds, their crystallographic disorder, and various other information.

Nuclear magnetic resonance spectroscopy

Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a spectroscopic technique to observe local magnetic fields around atomic nuclei. This spectroscopy is based on the measurement of absorption of electromagnetic radiations in the radio frequency region from roughly 4 to 900 MHz. Absorption of radio waves in the presence of magnetic field is accompanied by a special type of nuclear transition, and for this reason, such type of spectroscopy is known as Nuclear Magnetic Resonance Spectroscopy.

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Structural studies and spectral characteristics of 4-benzoylpyridine thiosemicarbazone and N(4 ')-phenyl-4-benzoylpyridine thiosemicarbazone

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