Premium
The molecular and crystal structure of p‐methyl‐phenyl glyoxylacid‐m‐trifluoro‐anilide
Author(s) -
Hoehne E.,
Seidel I.
Publication year - 1980
Publication title -
kristall und technik
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0023-4753
DOI - 10.1002/crat.19800150803
Subject(s) - triclinic crystal system , intramolecular force , crystallography , crystal structure , molecule , chemistry , acceptor , oxygen atom , hydrogen bond , crystal (programming language) , group (periodic table) , electron density , stereochemistry , electron , physics , organic chemistry , quantum mechanics , computer science , programming language , condensed matter physics
Using X‐ray crystal structure analysis of the title compound the positions of all atoms (including all A atoms) were localized in the triclinic unit cell with the parameters a = 14.68 6 Å, b = 7.70 0 Å, c = 7.89 8 Å, α = 122.5°, β = 105.4°, γ = 87.7°, space group P1. The existence of an intramolecular HN … O(1) bridge was inferred, the H‐bridge acceptor of which predominantly is the π‐electron density of the carbonyl group in agreement with the results of the X‐ray crystal structure analysis of p‐methyl‐phenyl‐glyoxyl‐acid‐p‐chloroanilide (H OEHNE , S EIDEL ). Moreover, the existence of H‐bridgelike interactions of the two phenyl hydrogen atoms H(6) and H(15) to the carbonyl oxygen O(2) could be proved. These interactions stabilize the conformation of the two phenyl rings in the molecule.