Unknown

Dataset Information

0

Rac-Dimethyl 2-(tert-butyl-amino)-5-oxo-4,5-dihydro-pyrano[3,2-c]chromene-3,4-dicarboxyl-ate.

ABSTRACT: The title compound, C(20)H(21)NO(7), is asymmetric with a chiral centre located in the pyran ring and crystallizes as a racemate. The mol-ecular framework is somewhat bent; the coumarin moiety and the pyran ring are inclined by 7.85?(5)°. The mol-ecular structure is characterized by an intra-molecular N-H?O hydrogen bond, which generates an S(6) ring motif, and the crystal packing is stabilized by inter-molecular C-H?O hydrogen bonds. The 3-carboxyl-ate O atom is involved in both of them, having a bifurcated character.

SUBMITTER: Inglebert SA 

PROVIDER: S-EPMC3247363 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

rac-Dimethyl 2-(tert-butyl-amino)-5-oxo-4,5-dihydro-pyrano[3,2-c]chromene-3,4-dicarboxyl-ate.

Inglebert S Antony SA   Sethusankar K K   Arun Yuvaraj Y   Perumal Paramasivam T PT  

Acta crystallographica. Section E, Structure reports online 20111012 Pt 11

The title compound, C(20)H(21)NO(7), is asymmetric with a chiral centre located in the pyran ring and crystallizes as a racemate. The mol-ecular framework is somewhat bent; the coumarin moiety and the pyran ring are inclined by 7.85 (5)°. The mol-ecular structure is characterized by an intra-molecular N-H⋯O hydrogen bond, which generates an S(6) ring motif, and the crystal packing is stabilized by inter-molecular C-H⋯O hydrogen bonds. The 3-carboxyl-ate O atom is involved in both of them, having  ...[more]

Similar Datasets

Unknown rac-Dimethyl 5-oxo-2-[(2,4,4-trimethyl-pentan-2-yl)amino]-4,5-dihydro-pyrano[3,2-c]chromene-3,4-dicarboxyl-ate.
| S-EPMC3393981 | biostudies-literature
Unknown rac-Diethyl 5-oxo-2-[(2,4,4-trimethyl-pentan-2-yl)amino]-4,5-dihydro-pyrano[3,2-c]chromene-3,4-dicarboxyl-ate.
| S-EPMC3254459 | biostudies-other
Unknown Di-tert-butyl 2-benzoyl-hydrazine-1,1-dicarboxyl-ate.
| S-EPMC2915266 | biostudies-literature
Unknown (R)-Di-tert-butyl 1,1'-binaphthyl-2,2'-dicarboxyl-ate.
| S-EPMC2968339 | biostudies-literature
Unknown Di-tert-butyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxyl-ate.
| S-EPMC3393944 | biostudies-literature
Unknown tert-Butyl 2-sulfanylidene-2,3-dihydro-1H-imidazole-1-carboxyl-ate.
| S-EPMC3394004 | biostudies-literature
Unknown 2-tert-Butyl 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxyl-ate.
| S-EPMC3379292 | biostudies-literature
Unknown tert-Butyl 6-acetamido-3,4-dihydro-2H-1,4-benzoxazine-4-carboxyl-ate.
| S-EPMC2983301 | biostudies-literature
Unknown tert-Butyl 6-amino-3,4-dihydro-2H-1,4-benzoxazine-4-carboxyl-ate.
| S-EPMC3011429 | biostudies-literature
Unknown 1,3-Bis(4-tert-butyl-benz-yl)-4,5-dihydro-imidazolium chloride monohydrate.
| S-EPMC2968238 | biostudies-literature