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https://doi.org/10.1107/S0108270106004008
DC Field | Value | |
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dc.title | Neutron diffraction studies of the 1:1 and 2:1 cocrystals of benzene-1,2,4,5-tetracarboxylic acid and 4,4?-bipyridine | |
dc.contributor.author | Cowan, J.A | |
dc.contributor.author | Howard, J.A.K | |
dc.contributor.author | Mason, S.A | |
dc.contributor.author | McIntyre, G.J | |
dc.contributor.author | Lo, S.M.-F | |
dc.contributor.author | Mak, T | |
dc.contributor.author | Chui, S.S.-Y | |
dc.contributor.author | Cai, J | |
dc.contributor.author | Cha, J.A | |
dc.contributor.author | Williams, I.D | |
dc.date.accessioned | 2020-10-27T07:04:35Z | |
dc.date.available | 2020-10-27T07:04:35Z | |
dc.date.issued | 2006 | |
dc.identifier.citation | Cowan, J.A, Howard, J.A.K, Mason, S.A, McIntyre, G.J, Lo, S.M.-F, Mak, T, Chui, S.S.-Y, Cai, J, Cha, J.A, Williams, I.D (2006). Neutron diffraction studies of the 1:1 and 2:1 cocrystals of benzene-1,2,4,5-tetracarboxylic acid and 4,4?-bipyridine. Acta Crystallographica Section C: Crystal Structure Communications 62 (4) : o157-o161. ScholarBank@NUS Repository. https://doi.org/10.1107/S0108270106004008 | |
dc.identifier.issn | 0108-2701 | |
dc.identifier.uri | https://scholarbank.nus.edu.sg/handle/10635/181060 | |
dc.description.abstract | The 1:1 and 2:1 cocrystals of benzene-1,2,4,5-tetracarboxylic acid (BTA) and 4,4?-bipyridine (BPY) have been studied using neutron diffraction at 215 and 20 K, respectively. BTA and BPY crystallize in a 1:1 ratio with 1.8 molecules of water, viz. 4,4?-bipyridinium 2,5-dicarboxybenzene-1,4- dicarboxylate 1.8-hydrate, C10H12N2 2-·C10H4O8 2-·1.8H2O, (I), in the space group P1?, with both BTA and BPY lying on inversion centres. BTA and BPY crystallize in a 2:1 ratio, viz. 4,4?-bipyridinium bis(2,4,5-tricarboxybenzoate), C 10H12N22+·2C 10H5O8-, (II), in the space group Cc. The crystal structure of the 1:1 cocrystal contains one short N - H?O hydrogen bond [N?O = 2.6047 (19) Å] and one intramolecular O-H?O hydrogen bond [O?O = 2.423 (3) Å], The crystal structure of the 2:1 cocrystal contains two N - H?O hydrogen bonds [N?O = 2.639 (3) and 2.674 (2) Å], and two intramolecular [O?O = 2.404 (3) and 2.420 (3) Å] and four strong intermolecular O-H?O hydrogen bonds [O?O = 2.613 (3), 2.718 (3), 2.628 (3) and 2.739 (3) Å]. © 2006 International Union of Crystallography. | |
dc.rights | Attribution 4.0 International | |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
dc.source | Unpaywall 20201031 | |
dc.subject | Carboxylic acids | |
dc.subject | Crystal structure | |
dc.subject | Crystallization | |
dc.subject | Hydrates | |
dc.subject | Hydrogen bonds | |
dc.subject | Molecular structure | |
dc.subject | Neutron diffraction | |
dc.subject | Water | |
dc.subject | Benzene-1,2,4,5-tetracarboxylic acid (BTA) | |
dc.subject | Cocrystals | |
dc.subject | Dicarboxybenzenes | |
dc.subject | Inversion centers | |
dc.subject | Benzene | |
dc.type | Article | |
dc.contributor.department | CHEMISTRY | |
dc.description.doi | 10.1107/S0108270106004008 | |
dc.description.sourcetitle | Acta Crystallographica Section C: Crystal Structure Communications | |
dc.description.volume | 62 | |
dc.description.issue | 4 | |
dc.description.page | o157-o161 | |
dc.published.state | Published | |
Appears in Collections: | Staff Publications Elements |
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