• 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

4-(sec-Butyl-amino)-3-nitro-benzoic acid.

作者信息

Narendra Babu Shivanagere Nagojappa, Abdul Rahim Aisyah Saad, Hamid Shafida Abd, Yeap Chin Sing, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 13;65(Pt 7):o1557-8. doi: 10.1107/S1600536809021655.

DOI:10.1107/S1600536809021655
PMID:21582841
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969477/
Abstract

The asymmetric unit of title compound, C(11)H(14)N(2)O(4), consists of two crystallographically independent mol-ecules (A and B). In each, intra-molecular N-H⋯O hydrogen bonds generate S(6) ring motifs. The mean plane of the nitro group forms dihedral angles of 4.5 (3) and 0.5 (3)° with the benzene ring in mol-ecules A and B, respectively. In mol-ecule A, there is disorder of the butyl-amino group which corresponds to an approximate 180° rotation about the N-C(H) bond, forming two sites with refined occupancies of 0.722 (6) and 0.278 (6). Mol-ecule B is similarly disordered but in addition there is further rotational disorder about the C(H)-C(H(2)) bond giving a ratio of occupancies for three components of 0.42:0.35:0.23. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link mol-ecules into centrosymmetric dimers generating R(2) (2)(8) ring motifs. The crystal structure is also stabilized by weak inter-molecular C-H⋯O inter-actions.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d32d/2969477/7ee8b114399d/e-65-o1557-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d32d/2969477/a0280028fa38/e-65-o1557-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d32d/2969477/80664120f408/e-65-o1557-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d32d/2969477/7ee8b114399d/e-65-o1557-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d32d/2969477/a0280028fa38/e-65-o1557-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d32d/2969477/80664120f408/e-65-o1557-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d32d/2969477/7ee8b114399d/e-65-o1557-fig3.jpg

相似文献

1
4-(sec-Butyl-amino)-3-nitro-benzoic acid.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 13;65(Pt 7):o1557-8. doi: 10.1107/S1600536809021655.
2
4-Cyclo-butyl-amino-3-nitro-benzoic acid.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 13;65(Pt 7):o1566-7. doi: 10.1107/S1600536809021412.
3
4-(But-3-enylamino)-3-nitro-benzoic acid.4-(3-丁烯基氨基)-3-硝基苯甲酸
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 13;65(Pt 7):o1560-1. doi: 10.1107/S1600536809021692.
4
1-[(Bromo-meth-yl)(phen-yl)meth-ylene]-2-(2,4-dinitro-phen-yl)hydrazine.1-[(溴甲基)(苯基)亚甲基]-2-(2,4-二硝基苯基)肼
Acta Crystallogr Sect E Struct Rep Online. 2009 May 7;65(Pt 6):o1221-2. doi: 10.1107/S1600536809016225.
5
4-Butyl-amino-3-nitro-benzoic acid.4-丁基氨基-3-硝基苯甲酸
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 25;65(Pt 5):o1122-3. doi: 10.1107/S1600536809014780.
6
N-(2,4-Dimethyl-phen-yl)-2,2-diphenyl-acetamide.N-(2,4-二甲基苯基)-2,2-二苯基乙酰胺
Acta Crystallogr Sect E Struct Rep Online. 2012 May 1;68(Pt 5):o1316-7. doi: 10.1107/S1600536812014079. Epub 2012 Apr 6.
7
(E)-4-(4-Hydr-oxy-3-methoxy-benzyl-idene-amino)-3-[1-(4-isobutyl-phen-yl)eth-yl]-1H-1,2,4-triazole-5(4H)-thione.(E)-4-(4-羟基-3-甲氧基-亚苄基氨基)-3-[1-(4-异丁基苯基)乙基]-1H-1,2,4-三唑-5(4H)-硫酮
Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 9;66(Pt 1):o89-90. doi: 10.1107/S160053680905209X.
8
Ethyl 4-(tert-butyl-amino)-3-nitro-benzoate.4-(叔丁基氨基)-3-硝基苯甲酸乙酯。
Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 19;64(Pt 8):o1550-1. doi: 10.1107/S160053680802206X.
9
Crystal structures of three N-(aryl-sulfon-yl)-4-fluoro-benzamides.三种N-(芳基磺酰基)-4-氟苯甲酰胺的晶体结构
Acta Crystallogr E Crystallogr Commun. 2016 Mar 31;72(Pt 4):575-82. doi: 10.1107/S2056989016005089. eCollection 2016 Apr 1.
10
2-[2-Chloro-5-(trifluoro-methyl)-phen-yl]hexa-hydro-pyrimidine monohydrate.2-[2-氯-5-(三氟甲基)苯基]六氢嘧啶一水合物
Acta Crystallogr Sect E Struct Rep Online. 2008 Aug 30;64(Pt 9):o1840-1. doi: 10.1107/S1600536808027232.

本文引用的文献

1
4-Butyl-amino-3-nitro-benzoic acid.4-丁基氨基-3-硝基苯甲酸
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 25;65(Pt 5):o1122-3. doi: 10.1107/S1600536809014780.
2
Structure validation in chemical crystallography.化学晶体学中的结构验证
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
3
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.
4
Benzodiazepine calcitonin gene-related peptide (CGRP) receptor antagonists: optimization of the 4-substituted piperidine.苯二氮䓬类降钙素基因相关肽(CGRP)受体拮抗剂:4-取代哌啶的优化
Bioorg Med Chem Lett. 2006 Oct 1;16(19):5052-6. doi: 10.1016/j.bmcl.2006.07.044. Epub 2006 Aug 2.
5
1-Alkyl-benzotriazole-5-carboxylic acids are highly selective agonists of the human orphan G-protein-coupled receptor GPR109b.1-烷基-苯并三唑-5-羧酸是人类孤儿G蛋白偶联受体GPR109b的高度选择性激动剂。
J Med Chem. 2006 Feb 23;49(4):1227-30. doi: 10.1021/jm051099t.
6
Benzimidazole inhibitors of hepatitis C virus NS5B polymerase: identification of 2-[(4-diarylmethoxy)phenyl]-benzimidazole.丙型肝炎病毒NS5B聚合酶的苯并咪唑抑制剂:2-[(4-二芳基甲氧基)苯基]苯并咪唑的鉴定
Bioorg Med Chem Lett. 2006 Apr 1;16(7):1859-63. doi: 10.1016/j.bmcl.2006.01.032. Epub 2006 Feb 7.