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Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO (1))[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ(2) O (5),O (6)]zinc monohydrate
In the title compound, [Zn(C(14)H(17)N(5)O(3))(C(9)H(4)O(6))(H(2)O)(2)]·H(2)O, the complex molecule exists in a zwitterionic form. The Zn(II) ion exhibits a distorted tetragonal-pyramidal geometry, being coordinated by two O atoms from the zwitterionic 8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-di...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569215/ https://www.ncbi.nlm.nih.gov/pubmed/23424417 http://dx.doi.org/10.1107/S1600536813002122 |
| _version_ | 1782258853787729920 |
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| author | Ye, Zhong-Li Xin, Guang-Hua Zhang, Fu-Tian Xiao, Dong-Rong |
| author_facet | Ye, Zhong-Li Xin, Guang-Hua Zhang, Fu-Tian Xiao, Dong-Rong |
| author_sort | Ye, Zhong-Li |
| collection | PubMed |
| description | In the title compound, [Zn(C(14)H(17)N(5)O(3))(C(9)H(4)O(6))(H(2)O)(2)]·H(2)O, the complex molecule exists in a zwitterionic form. The Zn(II) ion exhibits a distorted tetragonal-pyramidal geometry, being coordinated by two O atoms from the zwitterionic 8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (L) ligand, one O atom from the 5-carboxybenzene-1,3-dicarboxylate dianion, [Hbtc](2−), and two O atoms from two aqua ligands. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds link the components into a three-dimensional structure. The crystal packing exhibits π–π interactions between the aromatic rings, with centroid–centroid distances in the range 3.466 (3)–3.667 (3) Å. |
| format | Online Article Text |
| id | pubmed-3569215 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2013 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-35692152013-02-19 Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO (1))[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ(2) O (5),O (6)]zinc monohydrate Ye, Zhong-Li Xin, Guang-Hua Zhang, Fu-Tian Xiao, Dong-Rong Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Zn(C(14)H(17)N(5)O(3))(C(9)H(4)O(6))(H(2)O)(2)]·H(2)O, the complex molecule exists in a zwitterionic form. The Zn(II) ion exhibits a distorted tetragonal-pyramidal geometry, being coordinated by two O atoms from the zwitterionic 8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (L) ligand, one O atom from the 5-carboxybenzene-1,3-dicarboxylate dianion, [Hbtc](2−), and two O atoms from two aqua ligands. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds link the components into a three-dimensional structure. The crystal packing exhibits π–π interactions between the aromatic rings, with centroid–centroid distances in the range 3.466 (3)–3.667 (3) Å. International Union of Crystallography 2013-01-31 /pmc/articles/PMC3569215/ /pubmed/23424417 http://dx.doi.org/10.1107/S1600536813002122 Text en © Ye et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| spellingShingle | Metal-Organic Papers Ye, Zhong-Li Xin, Guang-Hua Zhang, Fu-Tian Xiao, Dong-Rong Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO (1))[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ(2) O (5),O (6)]zinc monohydrate |
| title | Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO
(1))[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ(2)
O
(5),O
(6)]zinc monohydrate |
| title_full | Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO
(1))[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ(2)
O
(5),O
(6)]zinc monohydrate |
| title_fullStr | Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO
(1))[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ(2)
O
(5),O
(6)]zinc monohydrate |
| title_full_unstemmed | Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO
(1))[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ(2)
O
(5),O
(6)]zinc monohydrate |
| title_short | Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO
(1))[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ(2)
O
(5),O
(6)]zinc monohydrate |
| title_sort | diaqua(5-carboxybenzene-1,3-dicarboxylato-κo
(1))[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ(2)
o
(5),o
(6)]zinc monohydrate |
| topic | Metal-Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569215/ https://www.ncbi.nlm.nih.gov/pubmed/23424417 http://dx.doi.org/10.1107/S1600536813002122 |
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