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2-(Furan-2-yl)-5-(2-nitro-benz-yl)-2,3-dihydro-1,5-benzothia-zepin-4(5H)-one.

Huang ZH, Chu Y, Ye DY - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: The thia-zepine ring adopts a twist-boat conformation.The furan ring is oriented at dihedral angles of 56.75 (14) and 10.82 (14)° with respect to the two benzene rings, while the two benzene rings make a dihedral angle of 62.96 (10)°.Weak inter-molecular C-H⋯O hydrogen bonds occur in the crystal structure.

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Affiliation: Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai 201203, People's Republic of China.

ABSTRACT
The title compound, C(20)H(16)N(2)O(4)S, was prepared by introduction of a 2-nitro-benzyl group to 2-(furan-2-yl)-2,3-dihydro-1,5-benzothia-zepin-4(5H)-one via an alkaline-catalysed reaction. The thia-zepine ring adopts a twist-boat conformation. The furan ring is oriented at dihedral angles of 56.75 (14) and 10.82 (14)° with respect to the two benzene rings, while the two benzene rings make a dihedral angle of 62.96 (10)°. Weak inter-molecular C-H⋯O hydrogen bonds occur in the crystal structure.

No MeSH data available.


The molecular structure of the title compound showing displacemment ellipsoids at the 50% probability level. H atoms are presented as a small spheres of arbitrary radius.
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Fap1: The molecular structure of the title compound showing displacemment ellipsoids at the 50% probability level. H atoms are presented as a small spheres of arbitrary radius.


2-(Furan-2-yl)-5-(2-nitro-benz-yl)-2,3-dihydro-1,5-benzothia-zepin-4(5H)-one.

Huang ZH, Chu Y, Ye DY - Acta Crystallogr Sect E Struct Rep Online (2010)

The molecular structure of the title compound showing displacemment ellipsoids at the 50% probability level. H atoms are presented as a small spheres of arbitrary radius.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3050135&req=5

Fap1: The molecular structure of the title compound showing displacemment ellipsoids at the 50% probability level. H atoms are presented as a small spheres of arbitrary radius.
Bottom Line: The thia-zepine ring adopts a twist-boat conformation.The furan ring is oriented at dihedral angles of 56.75 (14) and 10.82 (14)° with respect to the two benzene rings, while the two benzene rings make a dihedral angle of 62.96 (10)°.Weak inter-molecular C-H⋯O hydrogen bonds occur in the crystal structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Medicinal Chemistry, School of Pharmacy, Fudan University, Shanghai 201203, People's Republic of China.

ABSTRACT
The title compound, C(20)H(16)N(2)O(4)S, was prepared by introduction of a 2-nitro-benzyl group to 2-(furan-2-yl)-2,3-dihydro-1,5-benzothia-zepin-4(5H)-one via an alkaline-catalysed reaction. The thia-zepine ring adopts a twist-boat conformation. The furan ring is oriented at dihedral angles of 56.75 (14) and 10.82 (14)° with respect to the two benzene rings, while the two benzene rings make a dihedral angle of 62.96 (10)°. Weak inter-molecular C-H⋯O hydrogen bonds occur in the crystal structure.

No MeSH data available.