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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

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Glidewell_2017_ACSECC_N_N_dimethyl_CC.pdf (1.072Mb)
Date
10/2017
Author
Shaibah, Mohammed A. E.
Yathirajan, Hemmige S.
Kumar, S. Madan
Byrappa, Kullaiah
Glidewell, Christopher
Keywords
Crystal structure
Disorder
Molecular conformation
Hydrogen bonding
QD Chemistry
DAS
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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.
Citation
Shaibah , M A E , Yathirajan , H S , Kumar , S M , Byrappa , K & Glidewell , C 2017 , ' 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 ' , Acta Crystallographica Section E , vol. 73 , no. 10 , pp. 1488-1492 . https://doi.org/10.1107/S2056989017012968
Publication
Acta Crystallographica Section E
Status
Peer reviewed
DOI
https://doi.org/10.1107/S2056989017012968
ISSN
2056-9890
Type
Journal article
Rights
© 2017 The Authors. This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Collections
  • University of St Andrews Research
URI
http://hdl.handle.net/10023/11813

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