Two hydrate pseudopolymorphs of thiamine pyrophosphate: a dihydrate and a trihydrate
文献类型：期刊论文
| 作者 | Li SQ ; Hu NH |
| 刊名 | acta crystallographica section c-crystal structure communications
 |
| 出版日期 | 2013 |
| 卷号 | 69页码:794-797 |
| 关键词 | CRYSTAL-STRUCTURES ANION COORDINATION METAL-COMPLEX SYSTEM SALTS ESTER ION |
| ISSN号 | 0108-2701 |
| 通讯作者 | hu nh |
| 中文摘要 | two hydrate pseudopolymorphs of 3-[(4-amino-2-methylpyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl hydrogen pyrophosphate (tpp), viz. a dihydrate, c12h18n4o7p2s center dot 2h(2)o, (i), and a trihydrate, c12h18n4o7p2s center dot 3h(2)o, (ii), were obtained during a structural study of vitamin b1 coenzyme. in both compounds, tpp is a neutral zwitterion, with its pyrophosphate group doubly deprotonated and its pyrimidine ring protonated, and it assumes the usual 'f' conformation in terms of the two torsion angles about the bonds by which the methylene group links the thiazolium and pyrimidinium rings [1.1 (3) and 79.7 (3)degrees for (i), and 2.0 (3) and 75.5 (3)degrees for (ii)]. in (i), two tpp molecules are linked by a pair of o-h center dot center dot center dot o hydrogen bonds into a phosphate-pairing dimer. n-h center dot center dot center dot o hydrogen bonds connect the dimers into a sheet parallel to (101). in (ii), the tpp molecules are self-assembled solely by n-h center dot center dot center dot o hydrogen bonds, generating a tape structure along [001]. a comparison of the four known hydrate pseudopolymorphs of tpp shows that the phosphate-pairing dimers are basic building units for the formation of two-dimensional networks. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000321458200025 |
| 公开日期 | 2014-04-15 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/49758]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Li SQ,Hu NH. Two hydrate pseudopolymorphs of thiamine pyrophosphate: a dihydrate and a trihydrate[J]. acta crystallographica section c-crystal structure communications,2013,69:794-797. |
| APA | Li SQ,&Hu NH.(2013).Two hydrate pseudopolymorphs of thiamine pyrophosphate: a dihydrate and a trihydrate.acta crystallographica section c-crystal structure communications,69,794-797. |
| MLA | Li SQ,et al."Two hydrate pseudopolymorphs of thiamine pyrophosphate: a dihydrate and a trihydrate".acta crystallographica section c-crystal structure communications 69(2013):794-797. |
入库方式： OAI收割
来源：长春应用化学研究所
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