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Methyl 3-oxo-2,3-dihydro-1,2-benzothia-zole-2-acetate 1,1-dioxide.

Siddiqui WA, Ahmad S, Siddiqui HL, Parvez M, Rashid R - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The title mol-ecule, C(10)H(9)NO(5)S, is composed of two essentially planar units with a dihedral angle of 89.16 (6)° between them.In the crystal structure, there are weak inter-molecular C-H⋯O inter-actions resulting in dimeric pairs of mol-ecules about inversion centres and chains of mol-ecules extended along the a and c axes, thus stabilizing the structure.In addition, benzothia-zole rings lying parallel to each other with centroid-centroid distances of 3.679 (2) and 3.999 (2) Å indicate the existence of π-π stacking inter-actions.

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ABSTRACT
The title mol-ecule, C(10)H(9)NO(5)S, is composed of two essentially planar units with a dihedral angle of 89.16 (6)° between them. In the crystal structure, there are weak inter-molecular C-H⋯O inter-actions resulting in dimeric pairs of mol-ecules about inversion centres and chains of mol-ecules extended along the a and c axes, thus stabilizing the structure. In addition, benzothia-zole rings lying parallel to each other with centroid-centroid distances of 3.679 (2) and 3.999 (2) Å indicate the existence of π-π stacking inter-actions.

No MeSH data available.


Related in: MedlinePlus

Unit cell packing of (I) showing π-π stacking interactions represented by dashed lines; H-atoms have been omitted for clarity.
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Fap3: Unit cell packing of (I) showing π-π stacking interactions represented by dashed lines; H-atoms have been omitted for clarity.


Methyl 3-oxo-2,3-dihydro-1,2-benzothia-zole-2-acetate 1,1-dioxide.

Siddiqui WA, Ahmad S, Siddiqui HL, Parvez M, Rashid R - Acta Crystallogr Sect E Struct Rep Online (2008)

Unit cell packing of (I) showing π-π stacking interactions represented by dashed lines; H-atoms have been omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961185&req=5

Fap3: Unit cell packing of (I) showing π-π stacking interactions represented by dashed lines; H-atoms have been omitted for clarity.
Bottom Line: The title mol-ecule, C(10)H(9)NO(5)S, is composed of two essentially planar units with a dihedral angle of 89.16 (6)° between them.In the crystal structure, there are weak inter-molecular C-H⋯O inter-actions resulting in dimeric pairs of mol-ecules about inversion centres and chains of mol-ecules extended along the a and c axes, thus stabilizing the structure.In addition, benzothia-zole rings lying parallel to each other with centroid-centroid distances of 3.679 (2) and 3.999 (2) Å indicate the existence of π-π stacking inter-actions.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title mol-ecule, C(10)H(9)NO(5)S, is composed of two essentially planar units with a dihedral angle of 89.16 (6)° between them. In the crystal structure, there are weak inter-molecular C-H⋯O inter-actions resulting in dimeric pairs of mol-ecules about inversion centres and chains of mol-ecules extended along the a and c axes, thus stabilizing the structure. In addition, benzothia-zole rings lying parallel to each other with centroid-centroid distances of 3.679 (2) and 3.999 (2) Å indicate the existence of π-π stacking inter-actions.

No MeSH data available.


Related in: MedlinePlus