A new monoclinic polymorph of 3-diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ6,2-thiazete-4-carbonitrile
نویسندگان
چکیده
A new monoclinic form of the title compound, C(14)H(17)N(3)O(3)S, has been found upon slow crystallization from water. Another monoclinic form of the compound was obtained previously from a mixture of dichloro-methane and diethyl ether [Clerici et al. (2002 ▶). Tetra-hedron, 58, 5173-5178]. Both phases crystallize in space group P2(1)/n with one mol-ecule in the asymmetric unit. The formally single exocyclic C-N bond that connects the -NEt(2) unit with the thia-zete ring is considerably shorter than the adjacent, formally double, endocyclic C=N bond. This is likely to be due to the extended conjugated system between the electron-donor diethyl-ammine fragment and the electron-withdrawing sulfonyl group. In the newly discovered polymorph, the meth-oxy group is rotated by almost 180° around the phen-yl-OCH(3) bond, resulting in a different mol-ecular conformation.
منابع مشابه
Facile and convenient synthesis of 2-amino-5,10-dioxo-4-aryl-5,10-dihydro-4H-benzo[g]chromene-3-carbonitrile derivatives by electrocatalytically chemical transformation
2-Amino-5,10-dioxo-4-aryl-5,10-dihydro-4H-benzo[g]chromene-3-carbonitrile derivatives are obtained in excellent yields with a simple and efficient procedure.This reaction can occur using electrocatalytic multicomponent chain transformation of aryl aldehydes, 2-hydroxynaphthalene-1,4-dione and malononitrile under neutral and mild conditions. Moreover, electrolysis is done in CH3CN as solvent, Te...
متن کاملCrystal structure of a 2:1 piroxicam–gentisic acid co-crystal featuring neutral and zwitterionic piroxicam molecules
A new 2:1 co-crystal of piroxicam and gentisic acid [systematic name: 4-hy-droxy-1,1-dioxo-N-(pyridin-2-yl)-2H-1λ6,2-benzo-thia-zine-3-carboxamide-2-(4-oxido-1,1-dioxo-2H-1λ6,2-benzo-thia-zine-3-amido)-pyridin-1-ium-2,5-di-hydroxy-benzoic acid, 2C15H13N3O4S·C7H6O4] has been synthesized using a microfluidic platform and initially identified using Raman spectroscopy. In the co-crystal, one piroxi...
متن کامل4-Dimethylamino-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrole-3-carbonitrile
In the title compound, C14H13N3O3, a twist occurs, as seen in the dihedral angle of 53.60 (12)° between the pyrrole and benzene rings. A three-dimensional architecture is formed in the crystal whereby layers of mol-ecules in the ac plane are connected by C-H⋯O and C-H⋯π inter-actions.
متن کاملMethyl 2-(but-3-enyl)-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxylate
In the title compound, C(14)H(15)NO(5)S, the thia-zine ring adopts a sofa conformation and an intra-molecular O-H⋯O hydrogen bond forms an S(6) ring. In the crystal, molecules are linked viaC-H⋯O inter-actions.
متن کاملMethyl 4-hydroxy-2-methoxycarbonylmethyl-1,1-dioxo-1,2-dihydro-1λ6,2-benzothiazine-3-carboxylate1
There are two independent mol-ecules in the asymmetric unit of the title compound, C(13)H(13)NO(7)S, which have almost identical geometries. The thia-zine ring adopts a sofa conformation in both mol-ecules and the mol-ecular conformations are stabilized by intramolecular O-H⋯O hydrogen bonds. Inter-molecular C-H⋯O hydrogen bonds stabilize the crystal packing.
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره 66 شماره
صفحات -
تاریخ انتشار 2010