Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO1)[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ2O5,O6]zinc monohydrate
In the title compound, [Zn(C14H17N5O3)(C9H4O6)(H2O)2]·H2O, the complex molecule exists in a zwitterionic form. The ZnII 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...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2013-02-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536813002122 |
| _version_ | 1818083807095422976 |
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| author | Zhong-Li Ye Guang-Hua Xin Fu-Tian Zhang Dong-Rong Xiao |
| author_facet | Zhong-Li Ye Guang-Hua Xin Fu-Tian Zhang Dong-Rong Xiao |
| author_sort | Zhong-Li Ye |
| collection | DOAJ |
| description | In the title compound, [Zn(C14H17N5O3)(C9H4O6)(H2O)2]·H2O, the complex molecule exists in a zwitterionic form. The ZnII 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. |
| first_indexed | 2024-12-10T19:43:51Z |
| format | Article |
| id | doaj.art-f59af75acb074242b4d0878259e5011e |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-10T19:43:51Z |
| publishDate | 2013-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-f59af75acb074242b4d0878259e5011e2022-12-22T01:35:56ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-02-01692m127m12710.1107/S1600536813002122Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO1)[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ2O5,O6]zinc monohydrateZhong-Li YeGuang-Hua XinFu-Tian ZhangDong-Rong XiaoIn the title compound, [Zn(C14H17N5O3)(C9H4O6)(H2O)2]·H2O, the complex molecule exists in a zwitterionic form. The ZnII 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.http://scripts.iucr.org/cgi-bin/paper?S1600536813002122 |
| spellingShingle | Zhong-Li Ye Guang-Hua Xin Fu-Tian Zhang Dong-Rong Xiao Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO1)[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ2O5,O6]zinc monohydrate Acta Crystallographica Section E |
| title | Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO1)[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ2O5,O6]zinc monohydrate |
| title_full | Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO1)[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ2O5,O6]zinc monohydrate |
| title_fullStr | Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO1)[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ2O5,O6]zinc monohydrate |
| title_full_unstemmed | Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO1)[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ2O5,O6]zinc monohydrate |
| title_short | Diaqua(5-carboxybenzene-1,3-dicarboxylato-κO1)[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato-κ2O5,O6]zinc monohydrate |
| title_sort | diaqua 5 carboxybenzene 1 3 dicarboxylato 954 o1 8 ethyl 5 oxo 2 piperazin 4 ium 1 yl 5 8 dihydropyrido 2 3 d pyrimidine 6 carboxylato 954 2o5 o6 zinc monohydrate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536813002122 |
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