Crystal structures of three new N-halo-methyl-ated quaternary ammonium salts.

ABSTRACT: In the crystals of the title N-halo-methyl-ated quaternary ammonium salts, C19H23IN(+)·I(-), (I) [systematic name: N-(4,4-di-phenyl-but-3-en-1-yl)-N-iodo-methyl-N,N-di-methyl-ammonium iodide], C20H25IN(+)·I(-), (II) [systematic name: N-(5,5-di-phenyl-pent-4-en-1-yl)-N-iodo-methyl-N,N-di-methyl-ammonium iodide], and C21H27IN(+)·I(-), (III) [systematic name: N-(6,6-di-phenyl-hex-5-en-1-yl)-N-iodo-methyl-N,N-di-methyl-ammonium iodide], there are short I?I(-) inter-actions of 3.564?(4), 3.506?(1) and 3.557?(1)?Å for compounds (I), (II) and (III), respectively. Compound (I) crystallizes in the Sohncke group P21 as an 'enanti-opure' compound and is therefore a potential material for NLO properties. In the crystal of compound (I), mol-ecules are linked by C-H?I(-) and C-H?? inter-actions which, together with the I?I(-) inter-actions, lead to the formation of ribbons along [100]. In (II), there are only C-H?I(-) inter-actions which, together with the I?I(-) inter-actions, lead to the formation of helices along [010]. In (III), apart from the I?I(-) inter-actions, there are no significant inter-molecular inter-actions present.

SUBMITTER: Munera-Orozco C 

PROVIDER: S-EPMC4647383 | biostudies-other | 2015 Oct

REPOSITORIES: biostudies-other