Sumit Sanotra, Rimpy Gupta, Haq Nawaz Sheikh, Bansi Lal Kalsotra, Vivek K Gupta, Rajnikant
{"title":"新型双(6-羧基吡啶-2-羧基-κ3O2,N,O6)三水合镍(II) Ni(Hpydc)2·3H2O的水热合成与晶体结构","authors":"Sumit Sanotra, Rimpy Gupta, Haq Nawaz Sheikh, Bansi Lal Kalsotra, Vivek K Gupta, Rajnikant","doi":"10.1107/S0108768112043972","DOIUrl":null,"url":null,"abstract":"<p><p>The synthesis and crystal structure of the compound bis(6-carboxypyridine-2-carboxylato-κ(3)O(2),N,O(6))nickel(II) trihydrate, Ni(Hpydc)(2)·3H(2)O, with a supramolecular network is reported (H(2)pydc is pyridine-2,6-dicarboxylic acid). The compound has been prepared by hydrothermal methods. The crystal structure has been solved by direct methods using single-crystal X-ray diffraction data collected at 293 K and refined by full-matrix least-squares procedures to a final R value of 0.0323 for 2779 observed reflections. The compound has distorted octahedral geometry around the metal centre. The complex contains two identical singly ionized ligand molecules. The nickel(II) is bonded to four O atoms and two N atoms from the tridentate ligand molecules, which are nearly perpendicular to each other. Hydrogen-bonded interactions create a three-dimensional supramolecular porous network. The supramolecular structure accounts for the porous structure of the compound as is evident from the Brunauer, Emmett & Teller (BET) surface area of 80 m(2) g(-1). Thermal degradation of the compound shows that lattice water molecules give stability to the crystal structure.</p>","PeriodicalId":7107,"journal":{"name":"Acta Crystallographica Section B-structural Science","volume":"68 Pt 6","pages":"619-24"},"PeriodicalIF":1.9000,"publicationDate":"2012-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108768112043972","citationCount":"2","resultStr":"{\"title\":\"Hydrothermal synthesis and crystal structure of novel bis(6-carboxypyridine-2-carboxylato-κ3O2,N,O6)nickel(II) trihydrate, Ni(Hpydc)2·3H2O.\",\"authors\":\"Sumit Sanotra, Rimpy Gupta, Haq Nawaz Sheikh, Bansi Lal Kalsotra, Vivek K Gupta, Rajnikant\",\"doi\":\"10.1107/S0108768112043972\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The synthesis and crystal structure of the compound bis(6-carboxypyridine-2-carboxylato-κ(3)O(2),N,O(6))nickel(II) trihydrate, Ni(Hpydc)(2)·3H(2)O, with a supramolecular network is reported (H(2)pydc is pyridine-2,6-dicarboxylic acid). The compound has been prepared by hydrothermal methods. The crystal structure has been solved by direct methods using single-crystal X-ray diffraction data collected at 293 K and refined by full-matrix least-squares procedures to a final R value of 0.0323 for 2779 observed reflections. The compound has distorted octahedral geometry around the metal centre. The complex contains two identical singly ionized ligand molecules. The nickel(II) is bonded to four O atoms and two N atoms from the tridentate ligand molecules, which are nearly perpendicular to each other. Hydrogen-bonded interactions create a three-dimensional supramolecular porous network. The supramolecular structure accounts for the porous structure of the compound as is evident from the Brunauer, Emmett & Teller (BET) surface area of 80 m(2) g(-1). Thermal degradation of the compound shows that lattice water molecules give stability to the crystal structure.</p>\",\"PeriodicalId\":7107,\"journal\":{\"name\":\"Acta Crystallographica Section B-structural Science\",\"volume\":\"68 Pt 6\",\"pages\":\"619-24\"},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2012-12-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1107/S0108768112043972\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section B-structural Science\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1107/S0108768112043972\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2012/11/16 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section B-structural Science","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S0108768112043972","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2012/11/16 0:00:00","PubModel":"Epub","JCR":"","JCRName":"","Score":null,"Total":0}
Hydrothermal synthesis and crystal structure of novel bis(6-carboxypyridine-2-carboxylato-κ3O2,N,O6)nickel(II) trihydrate, Ni(Hpydc)2·3H2O.
The synthesis and crystal structure of the compound bis(6-carboxypyridine-2-carboxylato-κ(3)O(2),N,O(6))nickel(II) trihydrate, Ni(Hpydc)(2)·3H(2)O, with a supramolecular network is reported (H(2)pydc is pyridine-2,6-dicarboxylic acid). The compound has been prepared by hydrothermal methods. The crystal structure has been solved by direct methods using single-crystal X-ray diffraction data collected at 293 K and refined by full-matrix least-squares procedures to a final R value of 0.0323 for 2779 observed reflections. The compound has distorted octahedral geometry around the metal centre. The complex contains two identical singly ionized ligand molecules. The nickel(II) is bonded to four O atoms and two N atoms from the tridentate ligand molecules, which are nearly perpendicular to each other. Hydrogen-bonded interactions create a three-dimensional supramolecular porous network. The supramolecular structure accounts for the porous structure of the compound as is evident from the Brunauer, Emmett & Teller (BET) surface area of 80 m(2) g(-1). Thermal degradation of the compound shows that lattice water molecules give stability to the crystal structure.
期刊介绍:
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.