The title compound, C(28)H(20)N(2)O(8), was synthesized by the reaction of isobenzofuran-1,3-dione and 2-amino-ethanol in a one-pot reaction. The benzene and five-membered rings are slightly twisted to each other, making dihedral angles of 2.77 (9) and 1.77 (10)°. The rings of the phthalimide groups make dihedral angle of 57.64 (7) and 83.46 (7)° with the central benzene ring. Weak C-H⋯O, C-H⋯π...

In the title compound, C(35)H(30)N(4)P(2), the diphenyl-phosphanyl and diphen-yl(2-pyridyl-imino)-λ(5)-phosphanyl groups are attached to the central methyl C atom with a P-C-N angle of 114.09 (16)°. The mol-ecules stack along the b axis and inter-connect through C-H(pyrid-yl)⋯N(pyrid-yl) inter-actions, forming an infinite chain structure. The parallel chains are further inter-connected via C-H(...

In the title compound, C(13)H(15)NO(3), the dihydro-furan-one ring is planar to within 0.012 (4) Å and it forms a dihedral angle of 42.8 (2)° with the benzene ring. The amino-ethyl-idene group is coplanar with the dihydro-furan-one ring. The meth-oxy group is slightly twisted away from the benzene ring. An intra-molecular N-H⋯O hydrogen bond, generating an S(6) ring, is observed. In the crystal...

The title compound, C(28)H(30)N(2)OS(2), was obtained by thio-nation of 3',6'-bis-(diethyl-amino)-3H-spiro-[isobenzofuran-1,9'-xan-thene]-3-one with 2,4-bis-(p-methoxy-phen-yl)-1,3-dithia-diphos-phetane disulfide (Lawesson's reagent). The planes of the two benzene rings of the xanthene system are inclined at a dihedral angle of 17.4 (1)°, and the plane of the dithio-phthalide group and the plan...

The title compound, C(19)H(13)ClF(2)N(2)O(3), was prepared by the reaction of (Z)-ethyl 3-amino-3-(4-chloro-phen-yl)-2-cyano-acrylate and 2,6-difluoro-benzoyl chloride. The dihedral angle between the chloro-benzene and fluoro-benzene rings is 37.0 (1)°. The ethyl group is disordered over two positions [occupancies = 0.52 (2):0.48 (2)]. In addition to intra-molecular N-H⋯O and N-H⋯F hydrogen bon...

Benzene dioxygenase and toluene dioxygenase from Pseudomonas putida have similar catalytic properties, structures, and gene organizations, but they differ in substrate specificity, with toluene dioxygenase having higher activity toward alkylbenzenes. The catalytic iron-sulfur proteins of these enzymes consist of two dissimilar subunits, alpha and beta; the alpha subunit contains a [2Fe-2S] clus...

The hydrazinium residue in the cation of the title salt, C(6)H(10)N(3)O(2)S(+)·Cl(-), is twisted out of the plane of the benzene ring to which it is attached [N-N-C-C torsion angle = 25.9 (2)°] and the amino group is almost perpendicular to the benzene ring [N-S-C-C torsion angle = 88.71 (16)°]. In the crystal, the cations are linked by N-H⋯O hydrogen bonds and π-π inter-actions [ring centroid ...

Bispyridinium cyclophanes are novel templates for human choline kinase inhibitors. Molecular modelling of these compounds suggests three anchorage places at the binding site of the enzyme: (i) two anionic centres of the enzyme active site separated from each other at a distance of approximately 6.2 A that bind the two positively charged nitrogen atoms; (ii) a wide hydrophobic pocket that is ful...

The title compound, C(21)H(20)N(2)O(2), a Schiff base ligand, contains two independent mol-ecules (A and B) in the asymmetric unit, with similar conformations. In mol-ecule A, the central benzene ring forms dihedral angles of 30.79 (13) and 23.56 (13)°, respectively, with the amino and benzyl benzene rings, while in mol-ecule B these angles are 32.30 (13) and 13.13 (12)°. The mol-ecular structu...

In the title mol-ecule, C13H15N3O4S, the benzene and pyrazole rings are inclined to each other at 77.48 (3)°. Two amino H atoms are involved in bifurcated hydrogen bonds, viz. intra-molecular N-H⋯O and inter-molecular N-H⋯O(N). The inter-molecular hydrogen bonds link the mol-ecules related by translation in [100] into chains. A short distance of 3.680 (3) Å between the centroids of benzene and ...