4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)thione

被引：4
|
作者：
Yuan, Cai-Xia [1 ]
Yao, Xu-Mei [1 ]
Zhu, Miao-Li [1 ]
Zhu, Hong-Mei [2 ]
机构：
[1] Shanxi Univ, Inst Mol Sci, Key Lab Chem Biol & Mol Engn, Educ Minist, Taiyuan 030006, Shanxi, Peoples R China
[2] Shanxi Univ, Coll Chem & Chem Engn, Taiyuan 030006, Shanxi, Peoples R China
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2014年 / 70卷
基金：
中国国家自然科学基金;
关键词：
data-to-parameter ratio = 12.2; mean σ(C-C) = 0.002 A°; R factor = 0.040; single-crystal X-ray study; T = 123 K; wR factor = 0.114;
D O I：
10.1107/S1600536814008320
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The title compound, C11H11ClN4OS, crystallizes with two molecules, A and B, in the asymmetric unit in which the dihedral angles between the triazole and benzene rings are 54.6 (3) and 56.0 (3)degrees. Both molecules feature an intramolecular O-H center dot center dot center dot N hydrogen bond, which generates an S(6) ring. In the crystal, A-B dimers are linked by pairs of weak C-H center dot center dot center dot S hydrogen bonds along with pi-pi stacking interactions between the triazole rings [centroid-centroid separations = 3.631 (3) and 3.981 (4) angstrom]. N-H center dot center dot center dot S hydrogen bonds link the dimers into [100] chains, which feature R-2(2) (8) loops.
引用
收藏
页码：O574 / +
页数：11
相关论文
共 50 条
  • [1] 4-[(5-Bromo-2-hydroxybenzylidene)-amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione
    Yuan, Cai-Xia
    Lan, Shu-Fen
    Liu, Xin-Yu
    Zhu, Miao-Li
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2014, 70 : O881 - +
  • [2] 3-Ethyl-1H-1,2,4-triazole-5(4H)-thione
    Jing, Bi
    Du, Yuao-Chao
    Zhu, Ai-Xin
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : O1802 - +
  • [3] 4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-propyl-1H-1,2,4-triazole-5(4H)-thione
    Wu, Xin
    Yuan, Cai-Xia
    Ma, Ling
    Zhai, Kai-Lu
    Zhu, Miao-Li
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : O1674 - +
  • [4] Crystal structure of 4-[(5-chloro-2-hydroxybenzylidene)amino]-3-propyl-1H-1,2,4-triazole-5(4H)-thione, C12H13ClN4OS
    Niu, Mengyuan
    Yuan, Caixia
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES, 2021, 236 (03): : 643 - 645
  • [5] 4-[(E)-(4-Hydroxybenzylidene)amino]-3- methyl-1H-1,2,4-triazole-5(4H)-thione
    Sarojini, Balladka K.
    Manjula, Padmanabha S.
    Narayana, B.
    Jasinski, Jerry P.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 : O733 - +
  • [6] 3-Benzyl-4-ethyl-1H-1,2,4-triazole-5(4H)-thione
    Karczmarzyk, Zbigniew
    Pitucha, Monika
    Wysocki, Waldemar
    Pachuta-Stec, Anna
    Stanczuk, Andrzej
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2013, 69 : O155 - +
  • [7] 4-amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione
    Zhao, Yu-Yuan
    Xing, Zheng
    Dai, Wei
    Han, Guang-Fan
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 : O1169 - U2996
  • [8] The crystal structures of three 3-methyl-1H-1,2,4triazole-5-thiones, including a second polymorph of 4-[(E)-(5-bromo-2-hydroxybenzylidene)amino]-3methyl-1H-1,2,4-triazole-5(4H)-thione and a redetermination of 4-amino-3-methyl-1H-1,2,4-triazole-5(4H)-thione
    Manjula, Padmanabha S.
    Sarojini, Balladka K.
    Yathirajan, Hemmige S.
    Akkurt, Mehmet
    Ersanli, Cem Cuneyt
    Glidewell, Christopher
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : 1003 - +
  • [9] 4-amino-3-(phenoxymethyl)-1H-1,2,4-triazole-5(4H)-thione
    Zhang, SS
    Meng, XT
    Li, XM
    Wang, W
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2004, 60 : O595 - O596
  • [10] 4-(5-Bromo-2-hydroxybenzylidene-amino)-3-methyl-1H-1,2,4-triazole-5-(4H)-thione
    Wang, Min
    Cao, Minna
    Hu, Bo
    Cheng, CuiXia
    Song, XueGang
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 : O374 - U1739
12345