Crystal structure of a 1:1 molecular adduct of hexamethylenetetramine with phenylacetic acid期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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Crystal structure of a 1:1 molecular adduct of hexamethylenetetramine with phenylacetic acid

Authors:	Thomas C W Mak Chen Xiaoming Shi Kailiang Yao Jiaxing Zheng Chaode

Institution:	(1) Department of Chemistry, The Chinese University of Hong Kong, Shatin, New Territories, Hong Kong;(2) Department of Chemistry, Zhongshan University, Guangzhou, China;(3) Institute of Physics, Academia Sinica, Beijing, China

Abstract:	A 11 crystalline adduct of hexamethylenetetramine with phenylacetic acid, (CH₂)₆N₄·C₆H₅CH₂COOH, has been isolated and characterized by X-ray analysis. The compound crystallizes in space groupI¯4 (No. 82), witha=20.576(3),c=6.907(1) Å, andZ=8. The crystal structure is composed of a packing of discrete molecular aggregates corresponding to the stoichiometric formula, each being consolidated by a NH-O hydrogen bond of length 2.643(8) Å, which has no significant effect on the regular geometry of the (CH₂)₆N₄ cage system. The C-CO₂ and phenyl groups in the C₆H₅CH₂COOH moiety make a dihedral angle of 74(1)°. The structure has been refined toR=0.071 for 1350 observed (F _o>2F _o) MoK data.

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