Crystal structure of (E)-4-{1-[2-(carbamothioyl)hydrazin-1-ylidene]ethyl}-phenyl 4-methylbenzoate

被引：2

作者：

Mani, Karthik Ananth ^{[1
]}

Viswanathan, Vijayan ^{[2
]}

Narasimhan, S. ^{[1
]}

Velmurugan, Devadasan ^{[2
]}

机构：

[1] Asthagiri Herbal Res Fdn, Dept Chem, Madras 600096, Tamil Nadu, India

[2] Univ Madras, Ctr Adv Study Crystallog & Biophys, Guindy Campus, Madras 600025, Tamil Nadu, India

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2015年 / 71卷

关键词：

crystal structure; thiosemicarbazones derivatives; biological activity; hydrogen bonding; ester;

D O I：

10.1107/S2056989014026942

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The asymmetric unit of the title compound, C17H17N3O2S, consists of two independent molecules, A and B, with different conformations: in molecule A, the dihedral angles between the central benzene ring and the pendant tolyl and carbamothioylhydrazono groups are 71.12 (9) and 5.95 (8)degrees, respectively. The corresponding angles in molecule B are 50.56 (12) and 26.43 (11)degrees, respectively. Both molecules feature an intramolecular N-H center dot center dot center dot N hydrogen bond, which closes an S(5) ring. In the crystal, molecules are linked by N-H center dot center dot center dot O, NH center dot center dot center dot S and C-H center dot center dot center dot O hydrogen bonds, generating a threedimensional network.

引用

页码：O43 / +

页数：12

共 8 条

[1]

Bruker, 2008, APEX2 SAINT SADABS

[2] WinGX and ORTEP for Windows: an update [J].

Farrugia, Louis J. .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2012, 45 :849-854

[3] Structure-activity relationship study of thiosemicarbazones on an African trypanosome: Trypanosoma brucei brucei [J].

Fatondji, Houssou Raymond ;

Kpoviessi, Salome ;

Gbaguidi, Fernand ;

Bero, Joanne ;

Hannaert, Veronique ;

Quetin-Leclercq, Joelle ;

Poupaert, Jacques ;

Moudachirou, Mansourou ;

Accrombessi, Georges Coffi .

MEDICINAL CHEMISTRY RESEARCH, 2013, 22 (05) :2151-2162

[4] Structural Studies and Investigation on the Activity of Imidazole-Derived Thiosemicarbazones and Hydrazones against Crop-Related Fungi [J].

Reis, Debora C. ;

Despaigne, Angel A. Recio ;

Da Silva, Jeferson G. ;

Silva, Nayane F. ;

Vilela, Camila F. ;

Mendes, Isolda C. ;

Takahashi, Jacqueline A. ;

Beraldo, Heloisa .

MOLECULES, 2013, 18 (10) :12645-12662

[5] Spectroscopic, structural and antibacterial properties of copper(II) complexes with biorelevant 5-methyl-3-formylpyrazole N(4)-benzyl-N(4)-methylthiosemicarbazone [J].

Sau, DK ;

Butcher, RJ ;

Chaudhuri, S ;

Saha, N .

MOLECULAR AND CELLULAR BIOCHEMISTRY, 2003, 253 (1-2) :21-29

[6] 2-Hydroxyacetophenone 4-phenyl-thiosemicarbazone [J].

Seena, E. B. ;

Manoj, E. ;

Kurup, M. R. Prathapachandra .

ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2006, 62 (o486-o488) :O486-O488

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

Sheldrick, George M. .

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

[8] Structure validation in chemical crystallography [J].

Spek, Anthony L. .

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 :148-155

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