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

[11]

Sheldrick GM, 2015, ACTA CRYSTALLOGR C, V71, P3, DOI [10.1107/S2053229614024218, 10.1107/S0108767307043930]

[12] 2-[4-(benzyloxy)phenyl]-5-(3,4-dimethoxyphenyl)-3,4-dimethylthiophene [J].

Shi, JX ;

Zheng, XF ;

Zhu, K ;

Lei, YJ ;

Shi, JG .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2004, 60 :O1977-O1978

[13] Hirshfeld surface analysis [J].

Spackman, Mark A. ;

Jayatilaka, Dylan .

CRYSTENGCOMM, 2009, 11 (01) :19-32

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

Spek, Anthony L. .

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

[15] Crystal Structure and Hirshfeld Surfaces of (E)-1-(2-Hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one [J].

Sreenatha, N. R. ;

Lakshminarayana, B. N. ;

Ganesha, D. P. ;

Vijayshankar, S. ;

Nagaraju, S. .

X-RAY STRUCTURE ANALYSIS ONLINE, 2018, 34 :23-24

[16]

SREENATHA NR, 2017, CHEM DATA COLLECT, V0011

[17] Crystal structure of [4-(2-methoxyphenyl)-3-methyl-1-phenyl-6-trifluoromethyl-1H-pyrazolo[3,4-b] pyridin-5-yl](thiophen-2-yl)methanone [J].

Swamy, V. Rajni ;

Gunasekaran, P. ;

Krishnakumar, R. V. ;

Srinivasan, N. ;

Mueller, P. .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 :O974-+

[18] Crystal structure of 5-[bis(4-ethoxy-phenyl)amino]thiophene-2-carbaldehyde [J].

Tan, Jing-Yun ;

Kong, Ming ;

Wu, Jie-Ying .

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 :O1075-+

← 1 2 →