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2-氨基嘧啶氯冉酸盐一水合物

2-Amino-pyrimidinium hydrogen chloranilate monohydrate.

作者信息

Su Ping, Huang Xue-Ying, Meng Xiang-Gao

机构信息

Key Laboratory of Pesticides & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Oct 31;64(Pt 11):o2217-8. doi: 10.1107/S1600536808034740.

DOI:10.1107/S1600536808034740
PMID:21581074
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2959704/
Abstract

In the title compound, C(4)H(6)N(3) (+)·C(6)HCl(2)O(4) (-)·H(2)O, anions, cations and water mol-ecules are linked by inter-molecular O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds into one-dimensional tapes along [111]. These tapes are further linked by weak Cl⋯Cl inter-actions [Cl⋯Cl = 3.394 (2) Å], forming sheets parallel to the (10) plane.

摘要

在标题化合物C₄H₆N₃⁺·C₆HCl₂O₄⁻·H₂O中,阴离子、阳离子和水分子通过分子间的O—H⋯O、O—H⋯N和N—H⋯O氢键沿着[111]方向连接成一维链带。这些链带通过弱的Cl⋯Cl相互作用[Cl⋯Cl = 3.394 (2) Å]进一步连接,形成平行于(10)平面的层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed7a/2959704/be1229a11a4e/e-64-o2217-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed7a/2959704/66353dccfeb8/e-64-o2217-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed7a/2959704/be1229a11a4e/e-64-o2217-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed7a/2959704/66353dccfeb8/e-64-o2217-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed7a/2959704/be1229a11a4e/e-64-o2217-fig2.jpg

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Cyanoximes as effective and selective co-crystallizing agents.氰基肟类作为有效且具选择性的共结晶剂。
CrystEngComm. 2009 Jan 1;11(3):439-443. doi: 10.1039/b811322j.
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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
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Structural competition between hydrogen bonds and halogen bonds.氢键与卤键之间的结构竞争。
J Am Chem Soc. 2007 Nov 14;129(45):13772-3. doi: 10.1021/ja073201c. Epub 2007 Oct 23.
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Hydrogen-bond interaction in organic conductors: redox activation, molecular recognition, structural regulation, and proton transfer in donor-acceptor charge-transfer complexes of TTF-imidazole.有机导体中的氢键相互作用:TTF-咪唑供体-受体电荷转移复合物中的氧化还原活化、分子识别、结构调控及质子转移
J Am Chem Soc. 2007 Sep 5;129(35):10837-46. doi: 10.1021/ja072607m. Epub 2007 Aug 14.
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Synthesis, structure, and magnetic properties of valence ambiguous dinuclear antiferromagnetically coupled cobalt and ferromagnetically coupled iron complexes containing the chloranilate(2-) and the significantly stronger coupling chloranilate(*3-) radical trianion.含氯冉酸根(2-)以及更强耦合的氯冉酸根(*3-)自由基三阴离子的价态不明确的双核反铁磁耦合钴和铁磁耦合铁配合物的合成、结构及磁性
J Am Chem Soc. 2007 Feb 28;129(8):2360-8. doi: 10.1021/ja067208q. Epub 2007 Feb 2.
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Characterization of the chloranilate(*3-) pi radical as a strong spin-coupling bridging ligand.氯冉酸根(*3-*)π自由基作为强自旋耦合桥连配体的表征。
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The Cambridge Structural Database: a quarter of a million crystal structures and rising.剑桥结构数据库:拥有二十五万个晶体结构且数量不断增加。
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