Ethyl 6-(4-fluorophenyl)-4-hydroxy-2-sulfanylidene-4-trifluoromethyl-1,3-diazinane-5-carboxylate

被引：2

作者：

Huang, Bao-Jun ^{[1
]}

Zhu, Lei ^{[2
]}

He, Qin ^{[2
]}

机构：

[1] Xuchang Univ, Inst Surface Micro & Nano Mat, Xuchang 461000, Henan, Peoples R China

[2] Xuchang Univ, Coll Chem & Chem Engn, Xuchang 461000, Henan, Peoples R China

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2012年 / 68卷

关键词：

data-to-parameter ratio = 16.0; mean σ(C-C) = 0.002 Å; R factor = 0.033; single-crystal X-ray study; T = 113 K; wR factor = 0.084;

D O I：

10.1107/S1600536812007465

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title compound, C 14H 14F 4N 2O 3S, the hexa-hydro-pyrimidine ring adopts a half-chair conformation. The mol-ecular conformation is stabilized by an intramolecular O - H⋯O hydrogen bond, generating an S(6) ring. The crystal structure features O - H⋯S and N - H⋯S hydrogen bonds.

引用

页码：O880 / U3244

页数：8

共 9 条

[1] SUBSTITUTED 1,4-DIHYDROPYRIMIDINES .3. SYNTHESIS OF SELECTIVELY FUNCTIONALIZED 2-HETERO-1,4-DIHYDROPYRIMIDINES [J].

ATWAL, KS ;

ROVNYAK, GC ;

OREILLY, BC ;

SCHWARTZ, J .

JOURNAL OF ORGANIC CHEMISTRY, 1989, 54 (25) :5898-5907

[2] Identification of the protein binding region of S-trityl-L-cysteine, a new potent inhibitor of the mitotic kinesin Eg5 [J].

Brier, S ;

Lemaire, D ;

DeBonis, S ;

Forest, E ;

Kozielski, F .

BIOCHEMISTRY, 2004, 43 (41) :13072-13082

[3] Monastrol inhibition of the mitotic kinesin Eg5 [J].

Cochran, JC ;

Gatial, JE ;

Kapoor, TM ;

Gilbert, SP .

JOURNAL OF BIOLOGICAL CHEMISTRY, 2005, 280 (13) :12658-12667

[4]

Kappe CO, 1997, TETRAHEDRON, V53, P2803

[5]

KONZ MJ, 1997, Patent No. 5683966

[6] Ethyl 6-(4-fluorophenyl)-4-hydroxy-2-oxo-4-trifluoromethyl-1,3-diazinane-5-carboxylate monohydrate [J].

Li, Gong-Chun ;

Wu, Chang-Zeng ;

Guo, Li-Li ;

Yang, Feng-Ling .

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 :O1704-U846

[7]

*RIG MSC, 2009, CRYSTALCLEAR CRYSTAL

[8] A short history of SHELX [J].

Sheldrick, George M. .

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122

[9]

Ulrich H., 2004, US Patent, Patent No. [2 004 033 897, 2004033897]

← 1 →