Unknown

Dataset Information

0

Crystal structure of 3,4-dimethyl 2-(tert-butyl-amino)-5-[2-oxo-4-(thio-morpholin-4-yl)-2H-chromen-3-yl]furan-3,4-di-carboxyl-ate ethyl acetate hemisolvate.

ABSTRACT: In the title hemisolvate, C25H28N2O7S·0.5C4H8O2, the thio-morpholine ring adopts a chair conformation, with the exocyclic N-C bond in an equatorial orientation. The dihedral angle between the coumarin ring system (r.m.s. deviation = 0.044 Å) and the furan ring is 64.84 (6)°. An intra-molecular N-H⋯O hydrogen bond closes an S(6) ring. The ethyl acetate solvent mol-ecule is disordered about a crystallographic inversion centre. In the crystal, the components are linked by C-H⋯O and C-H⋯S hydrogen bonds, generating a three-dimensional network.

SUBMITTER: Moriguchi T 

PROVIDER: S-EPMC4719946 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

Crystal structure of 3,4-dimethyl 2-(tert-butyl-amino)-5-[2-oxo-4-(thio-morpholin-4-yl)-2H-chromen-3-yl]furan-3,4-di-carboxyl-ate ethyl acetate hemisolvate.

Moriguchi Tetsuji T   Jalli Venkataprasad V   Krishnamurthy Suvratha S   Tsuge Akihiko A   Yoza Kenji K  

Acta crystallographica. Section E, Crystallographic communications 20151128 Pt 12

In the title hemisolvate, C25H28N2O7S·0.5C4H8O2, the thio-morpholine ring adopts a chair conformation, with the exocyclic N-C bond in an equatorial orientation. The dihedral angle between the coumarin ring system (r.m.s. deviation = 0.044 Å) and the furan ring is 64.84 (6)°. An intra-molecular N-H⋯O hydrogen bond closes an S(6) ring. The ethyl acetate solvent mol-ecule is disordered about a crystallographic inversion centre. In the crystal, the components are linked by C-H⋯O and C-H⋯S hydrogen b  ...[more]

Similar Datasets

Unknown 2-Oxo-2H-chromen-4-yl 4-tert-butyl-benzoate.
| S-EPMC3275277 | biostudies-literature
Unknown tert-Butyl 6-amino-3,4-dihydro-2H-1,4-benzoxazine-4-carboxyl-ate.
| S-EPMC3011429 | biostudies-literature
Unknown tert-Butyl 6-acetamido-3,4-dihydro-2H-1,4-benzoxazine-4-carboxyl-ate.
| S-EPMC2983301 | biostudies-literature
Unknown 6,8-Di-tert-butyl-3-(4-nitro-phen-yl)-2H-chromen-2-one.
| S-EPMC2979825 | biostudies-literature
Unknown tert-Butyl 4-isopropyl-2-oxo-6-phenyl-3,4-dihydro-2H-pyran-3-carboxyl-ate.
| S-EPMC2979271 | biostudies-literature
Unknown Crystal structure of (tert-butyl-carbamo-yl)(4-chloro-2-oxo-2H-chromen-3-yl)methyl acetate.
| S-EPMC4719945 | biostudies-literature
Unknown 4-Bromo-methyl-6-tert-butyl-2H-chromen-2-one.
| S-EPMC3772487 | biostudies-literature
Unknown Methyl 2-[(3,5-di-tert-butyl-4-hy-droxy-benz-yl)sulfan-yl]pyridine-3-carboxyl-ate n-hexane hemisolvate.
| S-EPMC3379213 | biostudies-literature
Unknown N'-tert-Butyl-5-(4-chloro-phen-yl)furan-2-carbohydrazide.
| S-EPMC2960804 | biostudies-other
Unknown tert-Butyl 4-(3,4-dichloro-anilino)piperidine-1-carboxyl-ate.
| S-EPMC3569265 | biostudies-literature