Diethyl 2-{(dibenzyl­amino)[4-(trifluoro­meth­yl)phen­yl]meth­yl}malonate

The asymmetric unit of the title compound, C29H30F3NO4, contains two independent mol­ecules. In each independent mol­ecule, one of two terminal ethyl groups is disordered over two conformations: the occupancies of major components were fixed at 0.53 and 0.64 in the two mol­ecules. In the crystal structure, weak inter­molecular C—H⋯O hydrogen bonds link mol­ecules into chains propagating along [10]

4-tert-Butyl-4′-(4-meth­oxy­phen­yl)-3′-(4-methyl­phen­yl)-1,2,3,4-tetra­hydro­spiro­[naphthalene-2,5′(4′H)-1,2-oxazol]-1-one

In the title compound, C30H31NO3, the tolyl ring is almost coplanar with the isoxazole ring [dihedral angle = 12.51 (7)°], whereas the meth­oxy­phenyl ring is almost perpendicular to the isoxazole ring [dihedral angle = 89.77 (5)°]. In the crystal, mol­ecules are connected through C—H⋯O hydrogen bonds, forming chains running along the a axis

Ethyl 2-amino-4-phenyl-4H-1-benzo­thieno[3,2-b]pyran-3-carboxyl­ate

The title heterocyclic compound, C20H17NO3S, was synthesized by condensation of ethyl cyano­acetate with (Z)-2-benzyl­idenebenzo[b]thio­phen-3(2H)-one in the presence of a basic catalyst in ethanol. The phenyl and ester groups make dihedral angles of 77.67 (6) and 8.52 (6)°, respectively, with the benzothienopyran ring system [maximum r.m.s. deviation = 0.1177 (13) Å]. In the crystal, centrosymmetric dimers are formed through pairs of N—H⋯O hydrogen bonds between the amine and ester groups. Inter­molecular C—H⋯N hydrogen bonds and C—H⋯π inter­actions involving the thio­phene ring are also observed

(2E)-4-tert-Butyl-2-(4-meth­oxy­benzyl­idene)-3,4-dihydro­naphthalen-1(2H)-one

In the title compound C22H24O2, the exocyclic C=C double bond is in an E configuration and the tert-butyl group is in an axial position on the cyclo­hexa­none ring. The cyclo­hexa­none ring in the dihydro­naphthalene fused-ring system adopts a half-chair conformation in both independent two mol­ecules in the asymetric unit. The benzene ring system is oriented angles of 43.97 (12) and 39.24 (12)° with respect to the naphthyl ring system in the two independent mol­ecules. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds and C—H⋯π inter­actions

2-(4-Meth­oxy­benzyl­idene)-4,4-dimethyl-3,4-dihydro­naphthalen-1(2H)-one

The title compound C20H20O2, has the exocyclic C=C double bond in an E configuration. The two benzene rings form a dihedral angle of 72.92 (6)°

(2E)-2-Benzyl­idene-4-ethyl-3,4-dihydro­naphthalen-1(2H)-one

In the title compound, C19H18O, the exocyclic C=C double bond has an E configuration. The ethyl substituent on the cyclo­hexa­none ring is in an axial position. The cyclo­hexa­none ring adopts a half-chair conformation, presumably due to conjugation in the benzene ring

3,4-Bis(4-nitro­phen­yl)-1,2,5-oxadiazole 2-oxide

The title compound, C14H8N4O6, a new 1,2,5-oxadiazole N-oxide derivative, was formed by dimerization of 4-nitro­benz­al­de­hyde oxime. The compound crystallizes with two independent mol­ecules per asymmetric unit. The N-oxide O atom is disordered over two sites in each mol­ecule; site occupancy factors are 0.57/0.43 and 0.5/0.5. The mean planes through the two benzene rings are inclined to the planar 1,2,3-oxadiazole ring by 25.03 (11) and 41.64 (11)° in one mol­ecule, and 22.58 (11) and 42.66 (11)° in the other mol­ecule, the smaller angle being for the ring on the oxide side of the oxadiazole ring in each case. In the crystal structure, the individual mol­ecules form centrosymmetric dimers linked via C—H⋯O hydrogen bonds. The dimers of one mol­ecule are then linked to those of the other mol­ecule via C—H⋯O hydrogen bonds, forming a three-dimensional network

Synthesis, characterization and coordination chemistry of substituted β-amino dicarbonyls

AbstractAn efficient and facile method for the synthesis of novel structurally diverse β-amino dicarbonyl compounds is described by exploring the aza-Michael addition reaction in an aqueous medium as a key step. Thereby, 2-(aryl-disubstituted-amino-1-yl-methyl)-malonic acid diethyl esters were achieved in a good to excellent yields. These products were easily isolated with enough purity just by using simple recrystallization. The crystals of the compounds (17) and (24) have been obtained and studied by X-ray crystallographic analyses

4′-Methyl-3-(4-nitro­phen­yl)-4-phenyl-4,5,1′,2′,3′,4′-hexa­hydro­spiro­[isoxazole-5,2′-naphthalen]-1′-one

The title compound, C25H20N2O4, is a new spiro-isoxazoline derivative. It contains a five-membered isoxazoline ring (A), a tetra­lone unit (E and D), a 4-nitro­phenyl substituent (B), and a phenyl ring (C). The isoxazoline ring (A) has an envelope conformation, while the cyclo­hexenone ring (D) has an inter­mediate sofa/half-chair conformation. The aromatic ring of the 4-nitro­phenyl substituent (B) is inclined at an angle of 78.97 (10)° to the phenyl ring (C). The rigid pharmacophore site, Osp 2—C—C—Osp 3, is characterized by an O⋯O distance of 3.113 (2) Å and an O—C—C—O torsion angle of 97.8 (2)°. In the crystal structure, mol­ecules are linked by C—H⋯O contacts

Diethyl 2-[(3,5-dimethyl-1H-pyrazol-1-yl)(4-meth­oxy­phen­yl)meth­yl]propane­dioate

The title compound, C20H26N2O5, was prepared in good yield (76%) through condensation of diethyl (4-meth­oxy­benz­yl)propane­dioate with 3,5-dimethyl-1H-pyrazole. The dihedral between the benzene and pyrazole rings is 83.96 (10)°. The crystal packing is stabilized by a C—H⋯O inter­action, which links the mol­ecules into centrosymmetric dimers