Crystal structures of N,N-dimethyl-(2-(2,2-diphenyl)-2-prop-2-ynyloxy)acetoxy)ethylamine and N,N-dimethyl-(2-(2,2-diphenyl)-2-prop-2-ynyloxy)acetoxy)ethylammonium 2,4,6-trinitrophenolate

Mohammed A. E. Shaibah, Hemmige S. Yathirajan, S. Madan Kumar, Kullaiah Byrappa, Christopher Glidewell

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

The N,N-dimethylethylamminium unit in N,N-dimethyl-[2-(2,2-diphenyl)-2-prop-2-ynyloxyacetoxy]ethylamine, C21H23NO3 (I), is disordered over two sets of atomic sites having occupancies of 0.880 (3) and 0. 120 (3), but there are no direction-specific interactions between the molecules of (I). The cation in N,N-dimethyl-[2-(2,2-diphenyl)-2-prop-2-ynyloxyacetoxy]ethylammonium 2,4,6-trinitrophenolate (picrate), C21H24NO3+·C6H2N3O7- (II), shows a similar type of disorder, with occupancies of 0.654 (11) and 0.346 (11), although the overall conformation of the cation in (II) is different from that in the neutral (I). The component ions are are linked by an almost planar three-centre N—H···(O)2 hydrogen bond, and the ion pairs are further linked by a combination of three C—H···O hydrogen bonds to form sheets. Comparisons are made with some related structures.
Original languageEnglish
Pages (from-to)1488-1492
Number of pages5
JournalActa Crystallographica Section E
Volume73
Issue number10
Early online date15 Sept 2017
DOIs
Publication statusPublished - Oct 2017

Keywords

  • Crystal structure
  • Disorder
  • Molecular conformation
  • Hydrogen bonding

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