• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

双-[1-(2-羟乙基)-2-甲基-5-硝基-1H-咪唑-κN(3)]氟化硼银(I)甲醇单溶剂合物的晶体结构

Crystal structure of bis-[1-(2-hy-droxy-eth-yl)-2-methyl-5-nitro-1H-imidazole-κN (3)]silver(I) tetra-fluorido-borate methanol monosolvate.

作者信息

Palmer Joshua H, Upmacis Rita K

机构信息

Department of Chemistry, Columbia University, New York, NY 10027, USA.

Haskins Laboratories, Dept. of Chemistry, Pace University, New York, NY 10038, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Feb 21;71(Pt 3):284-7. doi: 10.1107/S2056989015002819. eCollection 2015 Mar 1.

DOI:10.1107/S2056989015002819
PMID:25844189
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4350687/
Abstract

1-(2-Hy-droxy-eth-yl)-2-methyl-5-nitro-1H-imidazole (metronidazole, MET) is a medication that is used to treat infections by a variety of anaerobic organisms, but there are relatively few reports of the structures of metal compounds that exhibit coordination of metronidazole. We have demonstrated that MET reacts with AgBF4 to give [Ag(MET)2]BF4·CH3OH, in which the Ag(I) cation is coordinated by two MET ligands with a trans arrangement. The structure of [Ag(MET)2]BF4 exhibits some inter-esting differences from its nitrate counterpart, [Ag(MET)2]NO3 [Fun et al. (2008). Acta Cryst. E64, m668]. For instance, although the two MET ligands of both [Ag(MET)2]BF4 and [Ag(MET)2]NO3 are almost coplanar, the former compound has an anti-like geometry with a mol-ecular inversion center, but the latter has a syn-like arrangement. In the crystal, the BF4 (-) anion is linked by an O-H⋯F hydrogen bond to the methanol solvent molecule, which is, in turn, linked to the cation by an O-H⋯O hydrogen bond; the components of the structure are linked by O-H⋯O hydrogen bonds, forming chains along [001]. One of the MET ligands and the BF4 (-) anion are disordered over two sets of sites with ratios of refined occupancies 0.501 (17):0.499 (17) and 0.539 (19):0.461 (19), respectively.

摘要

1-(2-羟乙基)-2-甲基-5-硝基-1H-咪唑(甲硝唑,MET)是一种用于治疗多种厌氧菌感染的药物,但关于表现出甲硝唑配位作用的金属化合物结构的报道相对较少。我们已经证明,MET与AgBF₄反应生成[Ag(MET)₂]BF₄·CH₃OH,其中Ag(I)阳离子由两个呈反式排列的MET配体配位。[Ag(MET)₂]BF₄的结构与其硝酸盐对应物[Ag(MET)₂]NO₃[Fun等人(2008年)。《晶体学报》E64,m668]表现出一些有趣的差异。例如,尽管[Ag(MET)₂]BF₄和[Ag(MET)₂]NO₃的两个MET配体几乎共面,但前一种化合物具有带有分子反演中心的反式几何结构,而后一种具有顺式排列。在晶体中,BF₄⁻阴离子通过O-H⋯F氢键与甲醇溶剂分子相连,而甲醇溶剂分子又通过O-H⋯O氢键与阳离子相连;结构的各组分通过O-H⋯O氢键相连,沿[001]方向形成链。其中一个MET配体和BF₄⁻阴离子在两组位置上无序,精制占有率之比分别为0.501 (17):0.499 (17)和0.539 (19):0.461 (19)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2fdb/4350687/8034375c43bd/e-71-00284-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2fdb/4350687/90cb1b98116c/e-71-00284-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2fdb/4350687/af080160c0c1/e-71-00284-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2fdb/4350687/8034375c43bd/e-71-00284-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2fdb/4350687/90cb1b98116c/e-71-00284-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2fdb/4350687/af080160c0c1/e-71-00284-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2fdb/4350687/8034375c43bd/e-71-00284-fig3.jpg

相似文献

1
Crystal structure of bis-[1-(2-hy-droxy-eth-yl)-2-methyl-5-nitro-1H-imidazole-κN (3)]silver(I) tetra-fluorido-borate methanol monosolvate.双-[1-(2-羟乙基)-2-甲基-5-硝基-1H-咪唑-κN(3)]氟化硼银(I)甲醇单溶剂合物的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Feb 21;71(Pt 3):284-7. doi: 10.1107/S2056989015002819. eCollection 2015 Mar 1.
2
Six tris-(bipyrid-yl)iron(II) complexes with 2-substituted 1,1,3,3-tetra-cyano-propenide, perchlorate and tetra-fluorido-borate anions; order disorder, hydrogen bonding and C-N⋯π inter-actions.六种含2-取代的1,1,3,3-四氰基丙烯酸盐、高氯酸盐和四氟硼酸根阴离子的三(联吡啶基)铁(II)配合物;有序-无序、氢键和C-N⋯π相互作用
Acta Crystallogr E Crystallogr Commun. 2018 Nov 6;74(Pt 12):1717-1726. doi: 10.1107/S2056989018015426. eCollection 2018 Dec 1.
3
Crystal structure of metronidazolium tetra-chlorido-aurate(III).甲硝唑四氯合金(III)酸盐的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Jun 17;71(Pt 7):810-2. doi: 10.1107/S2056989015010798. eCollection 2015 Jul 1.
4
Crystal structure of hexa-μ-chlorido-μ-oxido-tetra-kis-{[1-(2-hy-droxy-eth-yl)-2-methyl-5-nitro-1-imidazole-κ ]copper(II)} containing short NO⋯NO contacts.含有短NO⋯NO接触的六-μ-氯-μ-氧代-四-双-{[1-(2-羟乙基)-2-甲基-5-硝基-1-咪唑-κ]铜(II)}的晶体结构
Acta Crystallogr E Crystallogr Commun. 2019 Jun 25;75(Pt 7):1057-1060. doi: 10.1107/S2056989019008570. eCollection 2019 Jul 1.
5
Crystal structures of the 1:1 salts of 2-amino-4-nitro-benzoate with each of (2-hy-droxy-eth-yl)di-methyl-aza-nium, -but-yl(2-hy-droxy-eth-yl)aza-nium and 1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium.2-氨基-4-硝基苯甲酸盐与(2-羟乙基)二甲基氮鎓、丁基(2-羟乙基)氮鎓和1,3-二羟基-2-(羟甲基)丙烷-2-铵各自形成的1:1盐的晶体结构。
Acta Crystallogr E Crystallogr Commun. 2018 Nov 9;74(Pt 12):1735-1740. doi: 10.1107/S2056989018015578. eCollection 2018 Dec 1.
6
Crystal structures of trans-di-chlorido-tetra-kis-[1-(2,6-diiso-propyl-phen-yl)-1H-imidazole-κN (3)]iron(II), trans-di-bromido-tetra-kis-[1-(2,6-diiso-propyl-phen-yl)-1H-imidazole-κN (3)]iron(II) and trans-di-bromido-tetra-kis-[1-(2,6-diiso-propyl-phen-yl)-1H-imidazole-κN (3)]iron(II) diethyl ether disolvate.反式二氯代四[1-(2,6-二异丙基苯基)-1H-咪唑-κN(3)]铁(II)、反式二溴代四[1-(2,6-二异丙基苯基)-1H-咪唑-κN(3)]铁(II)以及反式二溴代四[1-(2,6-二异丙基苯基)-1H-咪唑-κN(3)]铁(II)二乙醚溶剂合物的晶体结构
Acta Crystallogr Sect E Struct Rep Online. 2014 Jul 19;70(Pt 8):72-6. doi: 10.1107/S1600536814014056. eCollection 2014 Aug 1.
7
Crystal structure of a dinuclear Co(II) complex with bridging fluoride ligands: di-μ-fluorido-bis-{tris-[(6-methyl-pyridin-2-yl)meth-yl]amine}-dicobalt(II) bis-(tetra-fluorido-borate).含桥联氟配体的双核钴(II)配合物的晶体结构:二-μ-氟代-双-{三-[(6-甲基吡啶-2-基)甲基]胺}-二钴(II)双(四氟硼酸根)
Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 4;70(Pt 11):m359-60. doi: 10.1107/S1600536814021631. eCollection 2014 Nov 1.
8
Crystal structure of a helical silver(I) coordination polymer based on an unsymmetrical dipyridyl ligand: catena-poly[[silver(I)-μ-N-(pyridin-4-ylmeth-yl)pyridine-3-amine-κ (2) N:N'] tetra-fluorido-borate methanol hemisolvate].基于不对称联吡啶配体的螺旋状银(I)配位聚合物的晶体结构:链状聚[[银(I)-μ-N-(吡啶-4-基甲基)吡啶-3-胺-κ(2)N:N']四氟硼酸甲醇半溶剂合物]
Acta Crystallogr E Crystallogr Commun. 2015 Oct 7;71(Pt 11):1287-9. doi: 10.1107/S205698901501837X. eCollection 2015 Nov 1.
9
Crystal structure of a one-dimensional looped-chain silver(I) coordination polymer: catena-poly[[silver(I)-bis-{μ-4-[1-(5'-isopropyl-[1,1':3',1''-terphen-yl]-2'-yl)-1H-imidazol-2-yl]pyridine-κ(2) N:N'}] nitrate methanol monosolvate monohydrate].一维环状链状银(I)配位聚合物的晶体结构:链状聚[[银(I)-双-{μ-4-[1-(5'-异丙基-[1,1':3',1''-三联苯]-2'-基)-1H-咪唑-2-基]吡啶-κ(2) N:N'}]硝酸甲酯单溶剂合物一水合物]
Acta Crystallogr E Crystallogr Commun. 2016 Jun 17;72(Pt 7):972-5. doi: 10.1107/S205698901600949X. eCollection 2016 Jul 1.
10
Crystal structure of bis-(1,3-bis-{[(1H-pyrrol-2-yl)methyl-idene]amino-κN}propan-2-olato-κO)manganese(III) nitrate methanol monosolvate.双(1,3 - 双-{[(1H - 吡咯 - 2 - 基)亚甲基]氨基 - κN}丙 - 2 - 醇根 - κO)硝酸锰(III)甲醇单溶剂合物的晶体结构
Acta Crystallogr Sect E Struct Rep Online. 2014 Sep 17;70(Pt 10):210-2. doi: 10.1107/S1600536814020406. eCollection 2014 Oct 1.

引用本文的文献

1
Crystal structure of hexa-μ-chlorido-μ-oxido-tetra-kis-{[1-(2-hy-droxy-eth-yl)-2-methyl-5-nitro-1-imidazole-κ ]copper(II)} containing short NO⋯NO contacts.含有短NO⋯NO接触的六-μ-氯-μ-氧代-四-双-{[1-(2-羟乙基)-2-甲基-5-硝基-1-咪唑-κ]铜(II)}的晶体结构
Acta Crystallogr E Crystallogr Commun. 2019 Jun 25;75(Pt 7):1057-1060. doi: 10.1107/S2056989019008570. eCollection 2019 Jul 1.
2
Crystal structure of di-μ-chlorido-bis-[chlorido-bis-(1,2-dimethyl-5-nitro-1-imidazole-κ)copper(II)] acetonitrile disolvate.二-μ-氯-双-[氯-双-(1,2-二甲基-5-硝基-1-咪唑-κ)铜(II)]乙腈二溶剂化物的晶体结构
Acta Crystallogr E Crystallogr Commun. 2016 Oct 25;72(Pt 11):1633-1636. doi: 10.1107/S2056989016015413. eCollection 2016 Nov 1.

本文引用的文献

1
Interactions of metronidazole with other medicines: a brief review.甲硝唑与其他药物的相互作用:简要综述
Pharmazie. 2014 Aug;69(8):571-7.
2
Mechanisms of action of systemic antibiotics used in periodontal treatment and mechanisms of bacterial resistance to these drugs.用于牙周治疗的全身用抗生素的作用机制及这些药物的细菌耐药机制。
J Appl Oral Sci. 2012 May-Jun;20(3):295-309. doi: 10.1590/s1678-77572012000300002.
3
(Nitrato-κO,O')bis-(tryptanthrin-κN)silver(I).(硝酸根-κO,O')双-(色氨酸酮-κN)银(I)
Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):m185-6. doi: 10.1107/S1600536812001821. Epub 2012 Jan 21.
4
Bis[1-(2-hydroxy-ethyl)-2-methyl-5-nitro-1H-imidazole-κN]silver(I) nitrate.硝酸双[1-(2-羟乙基)-2-甲基-5-硝基-1H-咪唑-κN]银(I)
Acta Crystallogr Sect E Struct Rep Online. 2008 Apr 16;64(Pt 5):m668-9. doi: 10.1107/S1600536808009860.
5
Metronidazole is still the drug of choice for treatment of anaerobic infections.甲硝唑仍然是治疗厌氧菌感染的首选药物。
Clin Infect Dis. 2010 Jan 1;50 Suppl 1:S16-23. doi: 10.1086/647939.
6
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.
7
Synthesis and anti-amoebic activity of gold(I), ruthenium(II), and copper(II) complexes of metronidazole.甲硝唑的金(I)、钌(II)和铜(II)配合物的合成及其抗阿米巴活性
Chem Biodivers. 2005 Oct;2(10):1320-30. doi: 10.1002/cbdv.200590104.
8
Ruthenium(III) maltolato-nitroimidazole complexes: synthesis and biological activity.钌(III)麦芽酚基-硝基咪唑配合物:合成与生物活性
J Inorg Biochem. 2006 Dec;100(12):1974-82. doi: 10.1016/j.jinorgbio.2006.07.001. Epub 2006 Jul 25.
9
Ruthenium(II) sulfoxide-maltolato and -nitroimidazole complexes: synthesis and MTT assay.钌(II)亚砜-麦芽醇络合物和-硝基咪唑络合物:合成及MTT测定
Inorg Chem. 2003 Nov 17;42(23):7579-86. doi: 10.1021/ic030119j.
10
Supramolecular structures of metronidazole and its copper(II), cobalt(II) and zinc(II) coordination compounds.甲硝唑及其铜(II)、钴(II)和锌(II)配合物的超分子结构
J Inorg Biochem. 2002 Jul 25;91(1):339-48. doi: 10.1016/s0162-0134(02)00468-3.