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Crystal structure of 6-( p -tol ­ yl)benzo[ b ]naphtho[2,3- d ]thio ­ phene and of an ortho ­ rhom ­ bic polymorph of 7-phenyl ­ anthra[2,3- b ]benzo[ d ]thio ­ phene

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ABSTRACT

77: The title compounds, C23H16S, (I), and C26H16S, (II), are benzo­thio­phene derivatives in which the benzo­thio­phene moiety is fused with a naphthalene ring system in (I), and with an anthracene ring system in (II). In (I), the mean plane of the benzo­thio­phene ring system makes a dihedral angle of 2.28 (6)° with the naphthalene ring system, and a dihedral angle of 1.28 (6)° with the anthracene ring system in (II), showing that the fused units are essentially planar. In (I), the 4-methyl­benzene ring substituent makes a dihedral angle of 71.40 (9)° with the naphthalene ring system, while the phenyl ring substituent in (II) makes a dihedral angle of 67.08 (12)° with the anthracene ring system. In the crystals of both compounds, mol­ecules are linked by C—H⋯π inter­actions, leading to the formation of slabs parallel to (001) in (I) and to zigzag chains along [001] in (II). There are also offset π–π inter­actions present within the slabs in (I). In the crystal of (II), they link the chains, forming sheets parallel to (010). The triclinic polymorph of compound (II) has been reported [Sivasakthikumaran et al., (2012 ▸). J. Org. Chem., 9053–9071].

No MeSH data available.


The mol­ecular structure of compound (I), showing the atom labelling. Displacement ellipsoids are drawn at the 30% probability level.
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fig1: The mol­ecular structure of compound (I), showing the atom labelling. Displacement ellipsoids are drawn at the 30% probability level.

Mentions: The mol­ecular structures of the title compounds, (I) and (II), are illustrated in Figs. 1 ▸ and 2 ▸, respectively. In both compounds, the benzo­thio­phene ring systems are almost planar with the dihedral angles between the benzene and thio­phene rings being 1.85 (11)° in (I) and 0.56 (18)° in (II).


Crystal structure of 6-( p -tol ­ yl)benzo[ b ]naphtho[2,3- d ]thio ­ phene and of an ortho ­ rhom ­ bic polymorph of 7-phenyl ­ anthra[2,3- b ]benzo[ d ]thio ­ phene
The mol­ecular structure of compound (I), showing the atom labelling. Displacement ellipsoids are drawn at the 30% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC5120714&req=5

fig1: The mol­ecular structure of compound (I), showing the atom labelling. Displacement ellipsoids are drawn at the 30% probability level.
Mentions: The mol­ecular structures of the title compounds, (I) and (II), are illustrated in Figs. 1 ▸ and 2 ▸, respectively. In both compounds, the benzo­thio­phene ring systems are almost planar with the dihedral angles between the benzene and thio­phene rings being 1.85 (11)° in (I) and 0.56 (18)° in (II).

View Article: PubMed Central - HTML - PubMed

ABSTRACT

77: The title compounds, C23H16S, (I), and C26H16S, (II), are benzo­thio­phene derivatives in which the benzo­thio­phene moiety is fused with a naphthalene ring system in (I), and with an anthracene ring system in (II). In (I), the mean plane of the benzo­thio­phene ring system makes a dihedral angle of 2.28 (6)° with the naphthalene ring system, and a dihedral angle of 1.28 (6)° with the anthracene ring system in (II), showing that the fused units are essentially planar. In (I), the 4-methyl­benzene ring substituent makes a dihedral angle of 71.40 (9)° with the naphthalene ring system, while the phenyl ring substituent in (II) makes a dihedral angle of 67.08 (12)° with the anthracene ring system. In the crystals of both compounds, mol­ecules are linked by C—H⋯π inter­actions, leading to the formation of slabs parallel to (001) in (I) and to zigzag chains along [001] in (II). There are also offset π–π inter­actions present within the slabs in (I). In the crystal of (II), they link the chains, forming sheets parallel to (010). The triclinic polymorph of compound (II) has been reported [Sivasakthikumaran et al., (2012 ▸). J. Org. Chem., 9053–9071].

No MeSH data available.