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

The title compound, C 13 H 12 O 2 S 2 , crystallizes in the triclinic space group P \overline{1}. The molecular structure is substantially twisted, with a dihedral angle of 43.70 (2)° between the 2-(methylsulfanyl)thiophene and 4-methoxyphenyl rings. In the crystal, molecules are linked through C—H....

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Bibliographic Details
Published inActa crystallographica. Section E, Crystallographic communications Vol. 74; no. 12; pp. 1800 - 1803
Main Authors Nagaraju, S., Sridhar, M. A., Pradeepa Kumara, C.S., Sadashiva, M. P., Lakshminarayana, B. N., Lokanath, N. K.
Format Journal Article
LanguageEnglish
Published International Union of Crystallography 01.12.2018
Subjects
crystal structure
Hirschfeld surface
thiophene
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Summary:The title compound, C 13 H 12 O 2 S 2 , crystallizes in the triclinic space group P \overline{1}. The molecular structure is substantially twisted, with a dihedral angle of 43.70 (2)° between the 2-(methylsulfanyl)thiophene and 4-methoxyphenyl rings. In the crystal, molecules are linked through C—H...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 π–π interactions with a centroid–centroid separation of 3.760 (2) Å. The Hirshfeld surfaces were studied and the contributions of the various intermolecular interactions were quantified.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989018016043