Files in this item
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
Item metadata
dc.contributor.author | Shaibah, Mohammed A. E. | |
dc.contributor.author | Yathirajan, Hemmige S. | |
dc.contributor.author | Kumar, S. Madan | |
dc.contributor.author | Byrappa, Kullaiah | |
dc.contributor.author | Glidewell, Christopher | |
dc.date.accessioned | 2017-10-06T12:30:13Z | |
dc.date.available | 2017-10-06T12:30:13Z | |
dc.date.issued | 2017-10 | |
dc.identifier | 251301134 | |
dc.identifier | 568706ca-0ddd-460e-a1db-3cc3375b69d6 | |
dc.identifier | 85044752579 | |
dc.identifier | 000412026700020 | |
dc.identifier.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 | en |
dc.identifier.issn | 2056-9890 | |
dc.identifier.other | Bibtex: urn:206752de4586ebff700d324d0b392159 | |
dc.identifier.uri | https://hdl.handle.net/10023/11813 | |
dc.description.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. | |
dc.format.extent | 5 | |
dc.format.extent | 1125015 | |
dc.language.iso | eng | |
dc.relation.ispartof | Acta Crystallographica Section E | en |
dc.subject | Crystal structure | en |
dc.subject | Disorder | en |
dc.subject | Molecular conformation | en |
dc.subject | Hydrogen bonding | en |
dc.subject | QD Chemistry | en |
dc.subject | DAS | en |
dc.subject.lcc | QD | en |
dc.title | 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 | en |
dc.type | Journal article | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.identifier.doi | https://doi.org/10.1107/S2056989017012968 | |
dc.description.status | Peer reviewed | en |
This item appears in the following Collection(s)
Items in the St Andrews Research Repository are protected by copyright, with all rights reserved, unless otherwise indicated.