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N-（2-氯苯基）-2-（{5-[4-（甲硫基）苄基]-4-苯基-4H-1,2,4-三唑-3-基}硫基）乙酰胺

N-(2-Chloro-phen-yl)-2-({5-[4-(methyl-sulfan-yl)benz-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfan-yl)acetamide.

作者信息

Fun Hoong-Kun, Yeap Chin Sing, Manjunath K, Prasad D Jagadeesh, Poojary Boja

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2063. doi: 10.1107/S1600536811027565. Epub 2011 Jul 16.

DOI:10.1107/S1600536811027565
PMID:22091088
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3213509/
Abstract

In the title mol-ecule, C(24)H(21)ClN(4)OS(2), the central 1,2,4-triazole ring forms dihedral angles of 89.05 (9), 86.66 (9) and 82.70 (10)° with the chloro-substituted benzene ring, the methyl-sulfanyl-substituted benzene ring and the phenyl ring, respectively. In the crystal, mol-ecules are linked into sheets parallel to (100) by inter-molecular N-H⋯N and weak C-H⋯O hydrogen bonds.

摘要

在标题分子C(24)H(21)ClN(4)OS(2)中，中心的1,2,4-三唑环与氯取代苯环、甲基硫烷基取代苯环和苯环分别形成89.05 (9)°、86.66 (9)°和82.70 (10)°的二面角。在晶体中，分子通过分子间的N-H⋯N和弱C-H⋯O氢键连接成平行于(100)的片层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3948/3213509/7204650dbf7c/e-67-o2063-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3948/3213509/0a2055624ef0/e-67-o2063-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3948/3213509/7204650dbf7c/e-67-o2063-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3948/3213509/0a2055624ef0/e-67-o2063-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3948/3213509/7204650dbf7c/e-67-o2063-fig2.jpg

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本文引用的文献

1
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.
2
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.
3
Synthesis characterization and anticancer activity studies on some Mannich bases derived from 1,2,4-triazoles.一些源自1,2,4-三唑的曼尼希碱的合成、表征及抗癌活性研究
Eur J Med Chem. 2003 Jul-Aug;38(7-8):759-67. doi: 10.1016/s0223-5234(03)00128-4.
4
New bis-aminomercaptotriazoles and bis-triazolothiadiazoles as possible anticancer agents.新型双氨基巯基三唑和双三唑并噻二唑作为潜在的抗癌药物。
Eur J Med Chem. 2002 Jun;37(6):511-7. doi: 10.1016/s0223-5234(02)01358-2.
5
Nitrofuryl heterocycles.3. 3-Alkyl-5-(5-nitro-2-furyl)-1,2,4-triazoles and intermediates.
J Med Chem. 1966 May;9(3):405-8. doi: 10.1021/jm00321a033.
6
Antituberculosis agents. I. Alpha-(5-(2-Furyl)-1,2,4-triazol-3-ylthio) acethydrazide and related compounds.
Tetrahedron. 1970 Nov;26(22):5235-8. doi: 10.1016/s0040-4020(01)98732-0.
7
4-alkyl-5-aryl-4H-1,2,4-triazole-3-thiols as hypoglycemic agents.
J Med Chem. 1970 Jul;13(4):672-4. doi: 10.1021/jm00298a021.
8
[Studies of pyrazine derivatives. XXI. Synthesis and tuberculostatic activity of 4-aryl-1-pyrazinoylthiosemicarbazides and the products of their cyclization to 1,2,4-triazole-3-thione derivatives].
Acta Pol Pharm. 1986;43(6):523-8.
9
1-[p-(Benzoylamino)benzoyl]-4-substituted thiosemicarbazides: synthesis and antibacterial and antifungal activities.
Pharmazie. 1992 Oct;47(10):796-7.