Search

The molecular structures of ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-methyl-1H-pyrazole-4-carboxylate, C13H18N6O2, (I), and ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-(2-nitrophenylsulfonyl)-1H-pyrazole-4-carboxylate, C18H19N7O6S, (II), have been determined. There are two intramolecular N—H…O bonds and one intermolecular N—H…O hydrogen bond in (I). The rings formed by the N—H…O hydrogen bonds are almost planar. In (II), three intramolecular N—H…O hydrogen bonds exist. [ABSTRACT FROM AUTHOR]

The two isomorphous lanthanide coordination polymers, {[Ln2(C6H4NO2)2(C8H4O4)(OH)2(H2O)]·H2O} n (Ln = Er and Tm), contain two crystallographically independent Ln ions which are both eight-coordinated by O atoms, but with quite different coordination environments. In both crystal structures, adjacent Ln atoms are bridged by μ3-OH groups and carboxylate groups of isonicotinate and benzene-1,2-dicarboxylate ligands, forming infinite chains in which the Er...Er and Tm...Tm distances are in the ranges 3.622 (3)–3.894 (4) and 3.599 (7)–3.873 (1) Å, respectively. Adjacent chains are further connected through hydrogen bonds and π–π interactions into a three-dimensional supramolecular framework. [ABSTRACT FROM AUTHOR]

In the title compound, C16H13F2NO3, the two benzene rings and all attached non-H atoms are indivdually planar. The two planes, viz. the benzene ring and the two substituent F atoms (A), and the benzene ring and the attached carbonyl C atom, oxy O atom and aromatic C atom (B), have largest deviations of -0.0278 (10) and 0.0272 (9) Å, respectively, and a dihedral angle between the planes of 37.78 (3)°. The dihedral angles between plane B and the methylaminocarbonyl and acetoxy groups are 61.83 (5) and 48.82 (8)°, respectively. [ABSTRACT FROM AUTHOR]

The molecule of the title compound, C22H14Cl2O, is built up from three fused rings, two six-membered and one fivemembered, which are coplanar to within 0.015 (3) Å. The dihedral angles between the fluorene ring plane and the benzene and oxirane rings are 58.83 (13) and 55.99 (34)°, respectively. C—H⋯O hydrogen bonds link the molecules into sheets running parallel to the (010) plane. The crystal studied was an inversion twin. [ABSTRACT FROM AUTHOR]

The title dysprosium coordination polymer [Dy(IN)3(H2O)2] n, where IN− is the isonicotinate anion C6H4NO2−, has been hydro­thermally synthesized. The polymer exhibits a doubly carboxyl­ate-bridged infinite chain-like structure with the metal center lying on a crystallographic twofold axis and coordinating by two carboxyl­ate O atoms from a chelating isonicotinate group (also lying on a twofold axis), four carboxyl­ate O atoms from four bridging isonicotinate ligands, and two water mol­ecules, to yield an eight-coordinate square-anti­prismatic geometry. [ABSTRACT FROM AUTHOR]

In the title molecule, C18H18ClN5O2, the central pyrazole ring is perpendicular to the benzene ring and approximately perpendicular to the pyridazine ring [dihedral angles 89.9 (2) and 82.8 (2)°, respectively]. [ABSTRACT FROM AUTHOR]

In the title compound, C14H15ClN2O, the benzene and pyrimidine rings are nearly perpendicular, the dihedral angle between them being 84.7 (2)°. [ABSTRACT FROM AUTHOR]

In the crystal structure of the title compound, C9H9ClN4, there are non-classical intramolecular C—H⋯N hydrogen bonds and intermolecular C—H⋯π interactions. [ABSTRACT FROM AUTHOR]