Accession Number:

AD0699016

Title:

CRYSTAL STRUCTURE AND ABSOLUTE CONFIGURATION OF AN ANILIDE HYDROBROMIDE: (+)-N-((2-BENZYLMETHYLAMINO)PROPIONANILIDE HYDROBROMIDE,

Descriptive Note:

Corporate Author:

NATIONAL RESEARCH COUNCIL OF CANADA OTTAWA (ONTARIO) DIV OF PURE PHYSICS

Personal Author(s):

Report Date:

1968-10-14

Pagination or Media Count:

10.0

Abstract:

The crystal structure of -N-2-benzylmethylaminopropylpropionanilide hydrobromide, C20H27N2OBr, has been determined by the heavy atom method and refined by block-diagonal least-squares to an R index of 0.049 for the 1569 observed reflexions. The unit cell is monoclinic, space group P21, with a9.487, b12.071, c9.247 A, beta107 deg 32 min, Z2. Ths six atoms of the amide group are slightly nonplanar with a maximum deviation of 0.07 A occurring at N, but the four atoms identified with letters are planar. The s-methyl is well removed from the phenyl rings and is not shielded by either of them. There is strong evidence in support of a hydrogen bond between N and Br-, which are 3.23 A apart. The absolute configuration of the molecule in this hydrobromide derivative is found to be R in terms of the sequence rule nomenclature, thus confirming the absolute configuration determined chemically for the free base. Author

Subject Categories:

  • Physical Chemistry
  • Crystallography

Distribution Statement:

APPROVED FOR PUBLIC RELEASE