Synthesis, molecular structure and Hirshfeld surface analysis of (4-methoxyphenyl)[2-(methylsulfanyl)thiopnen-3-yl]methanone

被引：0

作者：

Nagaraju, S. ^{[1
]}

Sridhar, M. A. ^{[1
]}

Kumara, C. S. Pradeepa ^{[2
]}

Sadashiva, M. P. ^{[2
]}

Lakshminarayana, B. N. ^{[3
]}

Lokanath, N. K. ^{[4
]}

机构：

[1] Univ Mysore, Dept Studies Phys, Mysore, Karnataka, India

[2] Univ Mysore, Dept Studies Chem, Mysuru, Karnataka, India

[3] Adichuchanagiri Inst Technol, Dept Studies Phys, Chikkamagaluru, Karnataka, India

[4] Univ Mysore, Dept Studies Phys, Mysuru, Karnataka, India

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2018年 / 74卷

关键词：

crystal structure; thiophene; Hirschfeld surface;

D O I：

10.1107/S2056989018016043

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The title compound, C13H12O2S2, crystallizes in the triclinic space group P (1) over bar. The molecular structure is substantially twisted, with a dihedral angle of 43.70 (2)degrees between the 2-(methylsulfanyl)thiophene and 4-methoxyphenyl rings. In the crystal, molecules are linked through C-H center dot center dot center dot O interactions and form a bifurcated layer stacking along the b-axis direction and enclosing R-2(2)(10) ring motifs. The phenyl rings are involved in pi-pi interactions with a centroid-centroid separation of 3.760 (2) angstrom. The Hirshfeld surfaces were studied and the contributions of the various intermolecular interactions were quantified.

引用

页码：1800 / +

页数：8

共 18 条

[1]

Bruker, 2006, APEX2 SAINT

[2] Crystal structure of 6-(p-tolyl) benzo[b]naphtho[2,3-d]thiophene and of an orthorhombic polymorph of 7-phenylanthra[2,3-b]benzo[d]thiophene [J].

Gopinath, S. ;

Sethusankar, K. ;

Stoeckli-Evans, Helen ;

Rafiq, Muhamad ;

Mohanakrishnan, Arasambattu K. .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2016, 72 :1310-+

[3] The Cambridge Structural Database [J].

Groom, Colin R. ;

Bruno, Ian J. ;

Lightfoot, Matthew P. ;

Ward, Suzanna C. .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2016, 72 :171-179

[4] ALPHA-OXOKETENE-S,S-ACETAL, N,S-ACETAL AND N,N-ACETAL - VERSATILE INTERMEDIATES IN ORGANIC-SYNTHESIS [J].

JUNJAPPA, H ;

ILA, H ;

ASOKAN, CV .

TETRAHEDRON, 1990, 46 (16) :5423-5506

[5] Base catalyzed reaction of 1,4-dithiane-2,5-diol with α-oxoketene dithioacetals: a new general method for the synthesis of 2-methylthio-3-aroyl/heteroaroyl thiophenes [J].

Kumara, C. S. Pradeepa ;

Gowda, G. Byre ;

Kumar, K. S. Vinay ;

Ramesh, N. ;

Sadashiva, M. P. ;

Junjappa, H. .

TETRAHEDRON LETTERS, 2016, 57 (38) :4302-4305

[6] Ethyl 4-acetyl-5-anilino-3-methyl-thiophene-2-carboxylate [J].

Mabkhot, Yahia Nasser ;

Alatibi, Fatima ;

Barakat, Assem ;

Choudhary, M. Lqbal ;

Yousuf, Sammer .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2013, 69 :O1049-+

[7] Mercury CSD 2.0 -: new features for the visualization and investigation of crystal structures [J].

Macrae, Clare F. ;

Bruno, Ian J. ;

Chisholm, James A. ;

Edgington, Paul R. ;

McCabe, Patrick ;

Pidcock, Elna ;

Rodriguez-Monge, Lucia ;

Taylor, Robin ;

van de Streek, Jacco ;

Wood, Peter A. .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2008, 41 :466-470

[8]

Mishra R., 2011, PHARM CHEM, V3, P38

[9] Crystal Structure of (4-Fluorophenyl)(2-(methylthio)thiophen-3-yl)methanone [J].

Nagaraju, S. ;

Sridhar, M. A. ;

Sreenatha, N. R. ;

Kumara, C. S. Pradeepa ;

Sadashiva, M. P. .

X-RAY STRUCTURE ANALYSIS ONLINE, 2018, 34 :13-14

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

Sheldrick, George M. .

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

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