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Crystal structure of 6-(4-chloro-phen-yl)-6a-nitro-6,6a,6b,7,9,11a-hexa-hydro-spiro[chromeno[3',4':3,4]pyrrolo-[1,2-c]thia-zole-11,11'-indeno-[1,2-b]quinoxaline] chloro-form monosolvate.

Sivakumar N, Viswanathan V, Rao JN, Raghunathan R, Velmurugan D - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: An intra-molecular C-H⋯N hydrogen bond occurs.In the crystal, a second C-H⋯N hydrogen bond links the main and solvent mol-ecules.The solvent chloroform molecule is disordered about two positions with an occupancy ratio of 0.508 (14):0.492 (14).

View Article: PubMed Central - HTML - PubMed

Affiliation: Mission San Jose High School, Palm AVE, Fremont, CA 94539, USA.

ABSTRACT
In the title compound, C33H23ClN4O3S·CHCl3, the thia-zole ring adopts an envelope conformation with the N atom as the flap, and the pyrrolidine ring adopts a half-chair conformation. The thia-zole ring mean plane makes a dihedral angle of 59.31 (1)° with the pyrrolidine ring mean plane, 71.67 (1)° with the chromene ring and 82.59 (1)° with the chloro-benzene ring. An intra-molecular C-H⋯N hydrogen bond occurs. In the crystal, a second C-H⋯N hydrogen bond links the main and solvent mol-ecules. The solvent chloroform molecule is disordered about two positions with an occupancy ratio of 0.508 (14):0.492 (14).

No MeSH data available.


The molecular structure of the title compound, showing the atomic numbering and displacement ellipsoids drawn at 30% probability level. For the sake of clarity, the solvent molecule CHCl3 is omitted.
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Fap1: The molecular structure of the title compound, showing the atomic numbering and displacement ellipsoids drawn at 30% probability level. For the sake of clarity, the solvent molecule CHCl3 is omitted.


Crystal structure of 6-(4-chloro-phen-yl)-6a-nitro-6,6a,6b,7,9,11a-hexa-hydro-spiro[chromeno[3',4':3,4]pyrrolo-[1,2-c]thia-zole-11,11'-indeno-[1,2-b]quinoxaline] chloro-form monosolvate.

Sivakumar N, Viswanathan V, Rao JN, Raghunathan R, Velmurugan D - Acta Crystallogr Sect E Struct Rep Online (2014)

The molecular structure of the title compound, showing the atomic numbering and displacement ellipsoids drawn at 30% probability level. For the sake of clarity, the solvent molecule CHCl3 is omitted.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257185&req=5

Fap1: The molecular structure of the title compound, showing the atomic numbering and displacement ellipsoids drawn at 30% probability level. For the sake of clarity, the solvent molecule CHCl3 is omitted.
Bottom Line: An intra-molecular C-H⋯N hydrogen bond occurs.In the crystal, a second C-H⋯N hydrogen bond links the main and solvent mol-ecules.The solvent chloroform molecule is disordered about two positions with an occupancy ratio of 0.508 (14):0.492 (14).

View Article: PubMed Central - HTML - PubMed

Affiliation: Mission San Jose High School, Palm AVE, Fremont, CA 94539, USA.

ABSTRACT
In the title compound, C33H23ClN4O3S·CHCl3, the thia-zole ring adopts an envelope conformation with the N atom as the flap, and the pyrrolidine ring adopts a half-chair conformation. The thia-zole ring mean plane makes a dihedral angle of 59.31 (1)° with the pyrrolidine ring mean plane, 71.67 (1)° with the chromene ring and 82.59 (1)° with the chloro-benzene ring. An intra-molecular C-H⋯N hydrogen bond occurs. In the crystal, a second C-H⋯N hydrogen bond links the main and solvent mol-ecules. The solvent chloroform molecule is disordered about two positions with an occupancy ratio of 0.508 (14):0.492 (14).

No MeSH data available.