• 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

2,3-双(2-甲氧基苯基)四唑鎓-5-硫醇盐-丙酮-二氯甲烷(1/0.4/0.1)

2,3-Bis(2-methoxy-phen-yl)tetra-zolium-5-thiol-ate-acetone-dichloro-methane (1/0.4/0.1).

作者信息

von Eschwege Karel G, Muller Alfred

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 3;65(Pt 1):o2. doi: 10.1107/S1600536808039731.

DOI:10.1107/S1600536808039731
PMID:21581653
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2967854/
Abstract

In the title compound, C(15)H(14)N(4)O(2)S·0.4C(3)H(6)O·0.1CH(2)Cl(2), two benzene rings in the ortho-meth-oxy dehydro-dithizone (omd) mol-ecule are twisted out of the tetra-zole plane with the meth-oxy groups in a cis orientation relative to the tetrazole backbone. The acetone is located on a special position. The dihedral angles formed by the benzene rings with the central five-membered ring are 63.14 (8) and 57.06 (6)°. In the crystal structure, the relatively short distance of 3.886 (3) Å between the centroids of benzene rings from two neighbouring omd mol-ecules indicate π-π stacking inter-actions.

摘要

在标题化合物C(15)H(14)N(4)O(2)S·0.4C(3)H(6)O·0.1CH(2)Cl(2)中，邻甲氧基脱氢双硫腙（omd）分子中的两个苯环相对于四唑主链扭转出四唑平面，甲氧基呈顺式取向。丙酮位于一个特殊位置。苯环与中心五元环形成的二面角分别为63.14 (8)°和57.06 (6)°。在晶体结构中，来自两个相邻omd分子的苯环质心之间相对较短的距离为3.886 (3) Å，表明存在π-π堆积相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7bb4/2967854/07358373a2e5/e-65-000o2-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7bb4/2967854/8c71c89cdd38/e-65-000o2-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7bb4/2967854/07358373a2e5/e-65-000o2-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7bb4/2967854/8c71c89cdd38/e-65-000o2-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7bb4/2967854/07358373a2e5/e-65-000o2-fig2.jpg

相似文献

1
2,3-Bis(2-methoxy-phen-yl)tetra-zolium-5-thiol-ate-acetone-dichloro-methane (1/0.4/0.1).2,3-双(2-甲氧基苯基)四唑鎓-5-硫醇盐-丙酮-二氯甲烷(1/0.4/0.1)
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 3;65(Pt 1):o2. doi: 10.1107/S1600536808039731.
2
2,3-Bis(3-fluoro-phen-yl)tetra-zolium-5-thiol-ate.2,3-双（3-氟苯基）四唑-5-硫醇盐
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 15;65(Pt 8):o1864. doi: 10.1107/S1600536809026683.
3
Crystal structures of (Z)-5-[2-(benzo[b]thio-phen-2-yl)-1-(3,5-di-meth-oxy-phen-yl)ethen-yl]-1H-tetra-zole and (Z)-5-[2-(benzo[b]thio-phen-3-yl)-1-(3,4,5-tri-meth-oxy-phen-yl)ethen-yl]-1H-tetra-zole.（Z）-5-[2-（苯并[b]噻吩-2-基）-1-（3,5-二甲氧基苯基）乙烯基]-1H-四唑和（Z）-5-[2-（苯并[b]噻吩-3-基）-1-（3,4,5-三甲氧基苯基）乙烯基]-1H-四唑的晶体结构
Acta Crystallogr E Crystallogr Commun. 2016 Apr 8;72(Pt 5):652-5. doi: 10.1107/S2056989016005600. eCollection 2016 May 1.
4
1-[4-(Difluoro-meth-oxy)phen-yl]-N-(3,4-dimeth-oxy-phen-yl)-1H-1,2,4-triazole-3-carboxamide.1-[4-(二氟甲氧基)苯基]-N-(3,4-二甲氧基苯基)-1H-1,2,4-三唑-3-甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2010 Aug 11;66(Pt 9):o2267-8. doi: 10.1107/S1600536810029661.
5
Ethyl 4-[(4-chloro-phen-oxy)meth-yl]-2-(4-nitro-phen-yl)-1,3-thia-zole-5-carboxyl-ate.4-[(4-氯苯氧基)甲基]-2-(4-硝基苯基)-1,3-噻唑-5-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3433. doi: 10.1107/S1600536811049774. Epub 2011 Nov 25.
6
Crystal structure of (2Z,5Z)-3-(4-meth-oxy-phen-yl)-2-[(4-meth-oxy-phenyl)-imino]-5-[(E)-3-(2-nitro-phen-yl)allyl-idene]-1,3-thia-zolidin-4-one.(2Z,5Z)-3-(4-甲氧基苯基)-2-[(4-甲氧基苯基)亚氨基]-5-[(E)-3-(2-硝基苯基)烯丙叉基]-1,3-噻唑烷-4-酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2016 Jan 13;72(Pt 2):155-7. doi: 10.1107/S2056989016000207. eCollection 2016 Feb 1.
7
2,7-Dimeth-oxy-1,8-bis-(4-phen-oxy-benzo-yl)naphthalene.2,7-二甲氧基-1,8-双（4-苯氧基苯甲酰基）萘。
Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 23;66(Pt 11):o2902-3. doi: 10.1107/S1600536810042170.
8
(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(3-meth-oxy-phen-yl)ethyl-idene]hydrazine.（E）-1-（2,4-二硝基苯基）-2-[1-（3-甲氧基苯基）亚乙基]肼
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2144-5. doi: 10.1107/S1600536812026979. Epub 2012 Jun 20.
9
Ethyl 2-(4-meth-oxy-phen-yl)-1-[3-(2-oxopyrrolidin-1-yl)prop-yl]-1H-benzimidazole-5-carboxyl-ate.2-(4-甲氧基苯基)-1-[3-(2-氧代吡咯烷-1-基)丙基]-1H-苯并咪唑-5-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):o308-9. doi: 10.1107/S1600536811055966. Epub 2012 Jan 7.
10
Crystal structure and Hirshfeld surface analysis of ()-3-hy-droxy-2-{[(3a,6,7a)-2-(4-methyl-phenyl-sulfon-yl)-2,3,3a,6,7,7a-hexa-hydro-3a,6-ep-oxy-1-isoindol-6-yl]meth-yl}isoindolin-1-one.()-3-羟基-2-{[(3a,6,7a)-2-(4-甲基苯磺酰基)-2,3,3a,6,7,7a-六氢-3a,6-环氧-1-异吲哚-6-基]甲基}异吲哚啉-1-酮的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2021 Feb 16;77(Pt 3):260-265. doi: 10.1107/S2056989021001626. eCollection 2021 Mar 1.

本文引用的文献

1
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.
2
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。
Acta Crystallogr B. 2002 Jun;58(Pt 3 Pt 1):380-8. doi: 10.1107/s0108768102003890. Epub 2002 May 29.