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2-Chloro-8,8-dimethyl-8,9-dihydro-7H-chromeno[2,3-b]quinoline-10,12-dione.

Srinivasan T, Yuvaraj P, Reddy BS, Velmurugan D - Acta Crystallogr Sect E Struct Rep Online (2013)

Bottom Line: In both mol-ecules, the cyclo-hexa-none ring has a chair conformation.The dihedral angles between the pyran ring and the pyridine and chloro-phenyl rings are 2.13 (9) and 2.19 (9)°, respectively, in A, and 0.82 (9) and 1.93 (9)°, respectively, in B.The carbonyl O atoms deviate from the pyran and benzene rings to which they are attached by -0.092 (2) and 0.064 (2) Å, respectively, in A, and by -0.080 (2) and -0.063 (2) Å, respectively, in B.

View Article: PubMed Central - HTML - PubMed

Affiliation: Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.

ABSTRACT
The asymmetric unit of the title compound, C(18)H(14)ClNO(3), contains two independent mol-ecules (A and B). In both mol-ecules, the cyclo-hexa-none ring has a chair conformation. The dihedral angles between the pyran ring and the pyridine and chloro-phenyl rings are 2.13 (9) and 2.19 (9)°, respectively, in A, and 0.82 (9) and 1.93 (9)°, respectively, in B. The carbonyl O atoms deviate from the pyran and benzene rings to which they are attached by -0.092 (2) and 0.064 (2) Å, respectively, in A, and by -0.080 (2) and -0.063 (2) Å, respectively, in B. In the crystal, the A mol-ecules are linked via C-H⋯O hydrogen bonds, forming double-stranded chains along [100]. They lie parallel to the double-stranded chains formed by the B mol-ecules, which are also linked via C-H⋯O hydrogen bonds. The chains stack up the c axis in an -A-A-B-B-A-A- manner, with a number of π-π inter-actions involving A and B mol-ecules; the centroid-centroid distances vary from 3.4862 (11) to 3.6848 (11) Å

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the two independent molecules (A and B) of the title compound, showing the atom numbering. Displacement ellipsoids are drawn at the 30% probability level.
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Fap1: The molecular structure of the two independent molecules (A and B) of the title compound, showing the atom numbering. Displacement ellipsoids are drawn at the 30% probability level.


2-Chloro-8,8-dimethyl-8,9-dihydro-7H-chromeno[2,3-b]quinoline-10,12-dione.

Srinivasan T, Yuvaraj P, Reddy BS, Velmurugan D - Acta Crystallogr Sect E Struct Rep Online (2013)

The molecular structure of the two independent molecules (A and B) of the title compound, showing the atom numbering. Displacement ellipsoids are drawn at the 30% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3569785&req=5

Fap1: The molecular structure of the two independent molecules (A and B) of the title compound, showing the atom numbering. Displacement ellipsoids are drawn at the 30% probability level.
Bottom Line: In both mol-ecules, the cyclo-hexa-none ring has a chair conformation.The dihedral angles between the pyran ring and the pyridine and chloro-phenyl rings are 2.13 (9) and 2.19 (9)°, respectively, in A, and 0.82 (9) and 1.93 (9)°, respectively, in B.The carbonyl O atoms deviate from the pyran and benzene rings to which they are attached by -0.092 (2) and 0.064 (2) Å, respectively, in A, and by -0.080 (2) and -0.063 (2) Å, respectively, in B.

View Article: PubMed Central - HTML - PubMed

Affiliation: Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.

ABSTRACT
The asymmetric unit of the title compound, C(18)H(14)ClNO(3), contains two independent mol-ecules (A and B). In both mol-ecules, the cyclo-hexa-none ring has a chair conformation. The dihedral angles between the pyran ring and the pyridine and chloro-phenyl rings are 2.13 (9) and 2.19 (9)°, respectively, in A, and 0.82 (9) and 1.93 (9)°, respectively, in B. The carbonyl O atoms deviate from the pyran and benzene rings to which they are attached by -0.092 (2) and 0.064 (2) Å, respectively, in A, and by -0.080 (2) and -0.063 (2) Å, respectively, in B. In the crystal, the A mol-ecules are linked via C-H⋯O hydrogen bonds, forming double-stranded chains along [100]. They lie parallel to the double-stranded chains formed by the B mol-ecules, which are also linked via C-H⋯O hydrogen bonds. The chains stack up the c axis in an -A-A-B-B-A-A- manner, with a number of π-π inter-actions involving A and B mol-ecules; the centroid-centroid distances vary from 3.4862 (11) to 3.6848 (11) Å

No MeSH data available.


Related in: MedlinePlus