• 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

N-[4-乙酰基-5-异丁基-5-(2-对甲苯基丙基)-4,5-二氢-1,3,4-噻二唑-2-基]乙酰胺乙酸乙酯半溶剂合物

N-[4-Acetyl-5-isobutyl-5-(2-p-tolyl-prop-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide ethyl acetate hemisolvate.

作者信息

Loughzail Mohamed, Mazoir Noureddine, Maya Celia M, Berraho Moha, Benharref Ahmed, Bouhmaida Nouzha

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 3;65(Pt 1):o4. doi: 10.1107/S1600536808039998.

DOI:10.1107/S1600536808039998
PMID:21581682
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2967856/
Abstract

The racemic title compound, a new terpenoid, C(20)H(29)N(3)O(2)S·0.5C(4)H(8)O(2), was synthesized from Cedrus Atlantica essential oil. The compound crystallizes with a disordered ethyl acetate solvent mol-ecule. The thia-diazole ring is almost planar, with a maximum deviation from the mean plane of 0.015 (2) Å for the C atom connected to the isobutyl group and has a puckering amplitude of 0.026 (2) Å. The dihedral angle between the benzene and thia-diazole rings is 18.32 (8)°. The crystal packing involves inter-molecular N-H⋯O hydrogen bonds.

摘要

外消旋标题化合物是一种新的萜类化合物，化学式为C(20)H(29)N(3)O(2)S·0.5C(4)H(8)O(2)，由大西洋雪松精油合成。该化合物结晶时含有一个无序的乙酸乙酯溶剂分子。噻二唑环几乎是平面的，与连接异丁基的C原子的平均平面的最大偏差为0.015 (2) Å，褶皱幅度为0.026 (2) Å。苯环和噻二唑环之间的二面角为18.32 (8)°。晶体堆积涉及分子间N-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9beb/2967856/8f60f70526c8/e-65-000o4-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9beb/2967856/a471943d6f12/e-65-000o4-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9beb/2967856/8f60f70526c8/e-65-000o4-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9beb/2967856/a471943d6f12/e-65-000o4-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9beb/2967856/8f60f70526c8/e-65-000o4-fig2.jpg

相似文献

1
N-[4-Acetyl-5-isobutyl-5-(2-p-tolyl-prop-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide ethyl acetate hemisolvate.N-[4-乙酰基-5-异丁基-5-(2-对甲苯基丙基)-4,5-二氢-1,3,4-噻二唑-2-基]乙酰胺乙酸乙酯半溶剂合物
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 3;65(Pt 1):o4. doi: 10.1107/S1600536808039998.
2
N-[4-Acetyl-5-(2-methylprop-1-enyl)-5-(2-p-tolyl-prop-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide.N-[4-乙酰基-5-(2-甲基丙烯基)-5-(2-对甲苯基丙基)-4,5-二氢-1,3,4-噻二唑-2-基]乙酰胺
Acta Crystallogr Sect E Struct Rep Online. 2009 May 14;65(Pt 6):o1269-70. doi: 10.1107/S1600536809017127.
3
N-[4-Acetyl-5-methyl-5-(2-p-tolyl-prop-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide.N-[4-乙酰基-5-甲基-5-(2-对甲苯基-丙基)-4,5-二氢-1,3,4-噻二唑-2-基]乙酰胺
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 10;65(Pt 2):o267-8. doi: 10.1107/S1600536809000191.
4
The crystal structures and Hirshfeld surface analyses of four 3,5-diacetyl-2-methyl-2,3-di-hydro-1,3,4-thia-diazol-2-yl derivatives.四种3,5-二乙酰基-2-甲基-2,3-二氢-1,3,4-噻二唑-2-基衍生物的晶体结构和 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2019 Sep 10;75(Pt 10):1436-1444. doi: 10.1107/S2056989019011915. eCollection 2019 Oct 1.
5
N-[1-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thia-diazol-2-yl)-2-phenyl-ethyl]acetamide.N-[1-(5-乙酰氨基-3-乙酰基-2-甲基-2,3-二氢-1,3,4-噻二唑-2-基)-2-苯基-乙基]乙酰胺
Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):o216. doi: 10.1107/S1600536807064823.
6
2-(2,4-Dichloro-phen-yl)-3-[5-(4-methoxy-phen-yl)-1,3,4-thia-diazol-2-yl]-1,3-thia-zolidin-4-one.2-（2,4-二氯苯基）-3-[5-（4-甲氧基苯基）-1,3,4-噻二唑-2-基]-1,3-噻唑烷-4-酮
Acta Crystallogr Sect E Struct Rep Online. 2008 Apr 4;64(Pt 5):o795. doi: 10.1107/S1600536808008465.
7
N-[4-Acetyl-5-(3-methoxy-phen-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide.
Acta Crystallogr Sect E Struct Rep Online. 2008 Oct 11;64(Pt 11):o2096. doi: 10.1107/S1600536808032108.
8
(±)-N-[4-Acetyl-5-methyl-5-(4-methyl-cyclo-hex-3-en-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide.（±）-N-[4-乙酰基-5-甲基-5-（4-甲基-环己-3-烯基）-4,5-二氢-1,3,4-噻二唑-2-基]乙酰胺
Acta Crystallogr Sect E Struct Rep Online. 2008 Feb 20;64(Pt 3):o610-1. doi: 10.1107/S1600536808004728.
9
2-Meth-oxy-N-[5-(2-methoxy-phen-yl)-1,3,4-thia-diazol-2-yl]benzamide hemi-hydrate.2-甲氧基-N-[5-(2-甲氧基苯基)-1,3,4-噻二唑-2-基]苯甲酰胺半水合物
Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 31;64(Pt 8):o1637. doi: 10.1107/S1600536808019934.
10
5-({3-[(5-Amino-1,3,4-thia-diazol-2-yl)sulfanylmeth-yl]benz-yl}sulfan-yl)-1,3,4-thia-diazol-2-amine.5 - ({3 - [(5 - 氨基 - 1,3,4 - 噻二唑 - 2 - 基)硫烷基甲基]苄基}硫烷基)-1,3,4 - 噻二唑 - 2 - 胺
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1241. doi: 10.1107/S1600536812013116. Epub 2012 Mar 31.

引用本文的文献

1
N-[4-Acetyl-5-(2-methylprop-1-enyl)-5-(2-p-tolyl-prop-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide.N-[4-乙酰基-5-(2-甲基丙烯基)-5-(2-对甲苯基丙基)-4,5-二氢-1,3,4-噻二唑-2-基]乙酰胺
Acta Crystallogr Sect E Struct Rep Online. 2009 May 14;65(Pt 6):o1269-70. doi: 10.1107/S1600536809017127.
2
N-[4-Acetyl-5-methyl-5-(2-p-tolyl-prop-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide.N-[4-乙酰基-5-甲基-5-(2-对甲苯基-丙基)-4,5-二氢-1,3,4-噻二唑-2-基]乙酰胺
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 10;65(Pt 2):o267-8. doi: 10.1107/S1600536809000191.
3
2-Acetyl-3,5,5,9-tetra-methyl-6,7,8,9-tetra-hydro-5H-benzocyclo-hepten-7-one.

本文引用的文献

1
(±)-N-[4-Acetyl-5-methyl-5-(4-methyl-cyclo-hex-3-en-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide.（±）-N-[4-乙酰基-5-甲基-5-（4-甲基-环己-3-烯基）-4,5-二氢-1,3,4-噻二唑-2-基]乙酰胺
Acta Crystallogr Sect E Struct Rep Online. 2008 Feb 20;64(Pt 3):o610-1. doi: 10.1107/S1600536808004728.
2
N-[1-(5-Acetamido-3-acetyl-2-methyl-2,3-dihydro-1,3,4-thia-diazol-2-yl)-2-phenyl-ethyl]acetamide.N-[1-(5-乙酰氨基-3-乙酰基-2-甲基-2,3-二氢-1,3,4-噻二唑-2-基)-2-苯基-乙基]乙酰胺
Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):o216. doi: 10.1107/S1600536807064823.
3
A short history of SHELX.
2-乙酰基-3,5,5,9-四甲基-6,7,8,9-四氢-5H-苯并环庚烯-7-酮
Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 8;67(Pt 1):o58. doi: 10.1107/S1600536810050610.
SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
4
Synthesis and antibacterial activity of 1-[1,2,4-triazol-3-yl] and 1-[1,3,4-thiadiazol-2-yl]-3-methylthio-6,7-dihydrobenzo[c]thiophen-4(5H)ones.1-[1,2,4-三唑-3-基]和1-[1,3,4-噻二唑-2-基]-3-甲硫基-6,7-二氢苯并[c]噻吩-4(5H)酮的合成及其抗菌活性
Bioorg Med Chem Lett. 2005 Feb 15;15(4):1023-5. doi: 10.1016/j.bmcl.2004.12.039.