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Formation of Hydrogen‐Bonding Adduct between 1‐Phyenyl‐2‐Amino Pyrimidine and Vaniline, C 17 H 13 N 3 O 2
Author(s) -
Farag I. S. Ahmed,
Gad A. M.,
ElShabiny A. M.,
Rybakov V. B.
Publication year - 1993
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170280816
Subject(s) - diffractometer , pyrimidine , crystallography , adduct , chemistry , condensation , hydrogen bond , group (periodic table) , crystal structure , hydrogen , stereochemistry , molecule , physics , organic chemistry , thermodynamics
The adduct compound was prepared by condensation of equimolar quantities of analar vaniline and 1‐phenyl‐2‐amino pyrimidine in absolute ethyl alcohol. Prismatic crystals were obtained with the crystallographic data: a = 12.901 (6), b = 19.297 (9), c = 6.828 (3) Å, γ = 102.67 (2)°, V = 1657.9 Å 3 , Z = 4, F.W. = 291.31, D x = 1.17 g/cm 3 , space group P2/n, R = 0.038 and R w = 0.036. The intensity data were collected on an Enraf Nonius CAD‐4 computer controlled diffractometer using MoKα radiation. The structure was solved by direct method and refined by full matrix least‐squares using anisotropic temperature factor of all atoms, except for hydrogen ones, which were treated isotropically. A full discussion was given to explain: a) the occurrence of the condensation process between the OH‐group of vaniline and the heterocyclic N‐atom in position 5 of the pyrimidine cycle and b) why this condensation does not take place between the amino‐group of the pyrimidine compound and the aldehydic group of vaniline to give a Schiff base.