ABSTRACT: The asymmetric unit of the title compound, C(22)H(26)N(2)O, contains three crystallographically independent mol-ecules, in which the aromatic rings are oriented at dihedral angles of 21.74?(5), 27.59?(5) and 27.87?(5)°. Intra-molecular O-H?N hydrogen bonds result in the formation of planar six-membered rings, and these are nearly coplanar with the adjacent rings. In the crystal structure, ?-? contacts between the benzene rings [centroid-centroid distances = 3.989?(2), 3.802?(1) and 3.882?(1)?Å] may stabilize the structure.
Project description:In the title compound, [Pt(C17H19N4)Cl], the Pt(II) cation is C,C',C''-chelated by the 1,1'-(5-methyl-1,3-phenyl-ene)bis-(3,5-dimethyl-1H-imidazolyl-idene) anion and coordinated by a Cl(-) anion in a distorted square-planar coordination geometry. ?-? stacking is observed between nearly parallel imidazole and benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.802?(4)?Å.
Project description:The title mol-ecule, C(9)H(4)Br(3)N, is almost planar, the maximum deviation being 0.110?(1)?Å. The crystal structure is stabilized by weak aromatic ?-? inter-actions [centroid-centroid distance = 3.802?(4)?Å] between the pyridine and benzene rings of the quinoline ring systems of adjacent mol-ecules.
Project description:In the title complex, [Zn(C(14)H(9)N(5))(2)](ClO(4))(2), 2-(1H-1,2,4-triazol-1-yl)-1,10-phenanthroline functions as a tridentate ligand and the Zn(II) ion assumes a distorted octa-hedral ZnN(6) coordination geometry. There is a weak ?-? stacking inter-action between symmetry-related triazolyl rings with a centroid-centroid distance of 3.802?(4)?Å and a perpendicular distance of 3.413?Å between the rings.
Project description:In the title compound, C(15)H(10)BrClO(2)S, the 4-bromo-phenyl ring makes a dihedral angle of 86.85?(6)° with the mean plane [mean deviation = 0.009?(2)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by slipped ?-? inter-actions between the benzene and the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.884?(2), inter-planar distance = 3.369?(2) and slippage = 1.945?(2)?Å], and between the 4-bromo-phenyl rings of adjacent mol-ecules [centroid-centroid distance = 3.882?(2), inter-planar distance = 3.552?(2) and slippage = 1.566?(2)?Å]. A Br?Br [3.6446?(4)?Å] halogen inter-action is also observed.
Project description:The mol-ecule of the title compound, C(22)H(26)N(2)O, displays a trans configuration with respect to the C=N double bond. The dihedral angle between the planes of the two aromatic rings is 26.30?(15)°. There is a strong intra-molecular O-H?N hydrogen bond between the imine and hydroxyl groups.
Project description:The asymmetric unit of the title hybrid compound, (C9H8N)[FeCl4]Cl, comprises a tetra-hedral tetra-chlorido-ferrate(III) anion, [FeCl4](-), a Cl(-) anion and two quinolinium cations. There are N-H?Cl hydrogen-bonding inter-actions between the protonated N atoms of the quinolinium cations and the chloride anion, which together with ?-? stacking between adjacent quinolinium rings [centroid-to-centroid distances between C6 and C5N rings in adjacent stacked quinolinium cations of 3.609?(2) and 3.802?(2)?Å] serve to hold the structure together.
Project description:The mol-ecular structure of the title compound, [Fe(C(5)H(5))(C(13)H(4)F(5))], consists of a ferrocenyl group and a 2,3,4,5,6-penta-fluoro-benzene group linked through an ethyne spacer. The crystal packing is dominated by inter-molecular C-H?F hydrogen bonds, C-F?? inter-actions between the penta-fluoro-benzene groups [F?centroid distances = 3.882?(2) and 3.884?(2)?Å] and ?-? inter-actions between the penta-fluoro-benzene and cyclo-penta-dienyl rings [centroid-centroid distance = 3.741?(1)?Å].
Project description:The asymmetric unit of the title compound, C(8)H(6)N(2)O(2), contains two independent mol-ecules, the aromatic rings of which are oriented at a dihedral angle of 1.68?(3)°. Intra-molecular C-H?O hydrogen bonds result in the formation of two non-planar six-membered rings, which adopt envelope and twisted conformations. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules. There are ?-? contacts between the benzene rings [centroid-centroid distances = 3.752?(3) and 3.874?(3)?Å].
Project description:In the title compound, C16H11Cl2NOS, the seven-membered thia-zepine ring adopts a distorted twist-boat conformation. The dihedral angle between the mean plane of the benzothia-zepine ring system and the benzene ring is 78.6?(1)°. The mol-ecular conformation is stabilized by a weak intra-molecular C-H?Cl hydrogen bond, which generates an S(5) ring motif. In the crystal, pairs of N-H?O hydrogen bonds link inversion-related mol-ecules into dimers, generating R 2 (2)(8) ring motifs. The crystal packing also features alternating ?-? inter-actions between benzothia-zepine benzene rings [inter-centroid distance = 3.740?(3)?Å] and dichloro-benzene rings [inter-centroid distance = 3.882?(3)?Å] to consolidate a three-dimensional architecture.
Project description:The reaction of thio-phene-3-carboxaldehyde and perfluoro-benzyl-triphenyl-phospho-nium bromide in the presence of sodium hydride gave the title compound, C(12)H(5)F(5)S, in 70% yield. The thiophene and perfluorophenyl groups form a dihedral angle of 5.4?(2)°. The structure is characterized by a head-to-tail organization in a columnar arrangement due to ?-? inter-actions between the thio-phene and penta-fluoro-phenyl rings with centroid-centroid distances in the range 3.698?(2)-3.802?(2)?Å.