A low-temperature redetermination of the trinuclear cluster compound described as [Cr(3)(C(2)H(2)ClO(2))(6)O(H(2)O)(3)]NO(3)·3H(2)O [Glowiak, Kubiak & Jezowska-Trzebiatowska (1977 ▶). Bull. Acad. Pol. Sci. Ser. Sci. Chim.25, 359-371] shows that the salt is a 3.5-hydrate, [Cr(3)(C(2)H(2)ClO(2))(6)O(H(2)O)(3)]NO(3)·3.5H(2)O. The trinuclear cluster cation is disordered in four of the six monochloro-acetate groups. One is disordered over two positions in respect of the chloro-methyl atoms (occupancy ratio 0.50:0.50); another is disordered over three positions in respect of the chloro-methyl atoms (occupancy ratio 0.50:0.37:0.13) whereas two are disordered over two positions in respect of the Cl atoms only (occupancy ratios 0.84:0.16 and 0.60:0.40). Of the four independent uncoordinated water mol-ecules, one has an occupancy factor of 0.5. The trinuclear cation has an oxido O atom that is connected to three water-coordinated Cr(III) atoms, the three metal atoms forming the points of an equilateral triangle. Six carboxyl-ate groups each chelate a Cr-O-Cr fragment. The cations, anions and uncoordinated water mol-ecules are linked by hydrogen bonds.
In the centrosymmetric tetra-nuclear title compound, [Sn(4)(C(4)H(9))(8)(C(7)H(5)O(3))(4)O(2)], one of the two independent Sn atoms is five-coordinate in a cis-C(2)SnO(3) trigonal-bipyramidal geometry [C-Sn-C = 142.7 (1)°]; the geometry is distorted owing to a long Sn⋯O(double bond) inter-action [Sn⋯O = 2.862 (1) Å]. The other Sn atom has a bent R(2)Sn skeleton [C-Sn-C = 144.0 (1)°], but the geometry is best regarded as being a trans-C(2)SnO(4) octa-hedron as the Sn-O(single bond) inter-action is shorter [Sn-O = 2.674 (1) Å].
The asymmetric unit of the title compound, C(22)H(28)N(2)O(3)·CH(4)O, consists of two independent Schiff base mol-ecules and two independent methanol solvent mol-ecules. In one Schiff base mol-ecule, the 2-hydr-oxy group forms an intra-molecular hydrogen bond with the amide O atom, whereas in the other Schiff base mol-ecule, the 2-hydr-oxy-substituted benzene ring is oriented so that the 2-hydr-oxy group serves as hydrogen-bond acceptor for the amide NH group. In the crystal structure, Schiff base mol-ecules inter-act with methanol solvent to furnish a hydrogen-bonded chain.
In the crystal structure of the title compound, C(15)H(15)NO, the two benzene rings are twisted from each other by a dihedral angle of 47.97 (4)°. The crystal structure is stabilized by weak inter-molecular C-H⋯O and C-H⋯π inter-actions, and π-π inter-actions with a centroid-centroid distance of 3.8493 (5) Å are observed.
The title compound, C(7)H(6)O(4), crystallizes with two independent mol-ecules in the asymmetric unit. In both mol-ecules, the 2-hydr-oxy group is bound via intra-molecular hydrogen bonds to the aldehyde group. The mol-ecules inter-act through O-H⋯O hydrogen bonds to form a three-dimensional network structure; each hydr-oxy group serves as a donor to only one acceptor atom.
The mol-ecule of the title compound, C(13)H(11)N(3)O(5)S, shows a phenyl group and an almost planar intra-molecularly hydrogen-bonded N'-(2-hydr-oxy-5-phenyl-ebenzyl-idene)hydrazino group disposed about the S atom. Adjacent mol-ecules are linked by N-H⋯O(nitro) hydrogen bonds, producing a linear chain that runs along the b axis of the unit cell.
The title compound, C(14)H(11)BrN(2)O(5)·2H(2)O, crystallizes as hydrogen-bonded sheets. The 2-hydr-oxy group on the benzyl-idene group forms an intra-molecular hydrogen bond to the N atom of the C=N double bond. The amino N atom is a hydrogen-bond donor to a water mol-ecule. The hydr-oxy group on the benzohydrazide group is a hydrogen-bond donor to one acceptor site, whereas each water mol-ecule is a hydrogen-bond donor to two acceptor sites.
The mol-ecule of the title compound, C(8)H(8)N(4)O(3)S, is planar. Adjacent mol-ecules are linked through O-H⋯S, N-H⋯S and N-H⋯O hydrogen bonds into a three-dimensional network.
In the mol-ecule of the title compound, C(16)H(14)O(2), a substituted benzil, the dicarbonyl unit has an s-trans conformation. This conformation is substanti-ated by the O-C-C-O torsion angle of 108.16 (15)°. The dihedral angle between the two aromatic rings is 72.00 (6)°. In the crystal structure, neighbouring mol-ecules are linked together by weak inter-molecular C-H⋯O hydrogen bonds and weak inter-molecular C-H⋯π inter-actions. In addition, the crystal structure is further stabilized by inter-molecular π-π inter-actions with centroid-centroid distances in the range 3.6000 (8)-3.8341 (8) Å.
The title compound, C(14)H(8)F(2)O(2), is a substituted benzil with an s-trans conformation of the dicarbonyl unit. This conformation is also shown by the O-C-C-O torsion angle of -110.65 (12)°. An unusual feature of the structure is the length, 1.536 (2) Å, of the central C-C bond connecting the carbonyl units, which is significantly longer than a normal Csp(2)-Csp(2) single bond. This is probably the result of decreasing the unfavourable vicinal dipole-dipole inter-actions by increasing the distance between the two electronegative O atoms [O⋯O = 3.1867 (12) Å] and allowing orbital overlap of the dione with the π system of the benzene rings. The dihedral angle between the aromatic rings is 64.74 (5)°. In the crystal structure, neighbouring mol-ecules are linked together by weak inter-molecular C-H⋯O (× 2) hydrogen bonds. In addition, the crystal structure is further stabilized by inter-molecular π-π inter-actions with centroid-centroid distances in the range 3.6416 (6)-3.7150 (7) Å.
In the title compound, C(12)H(24)N(+)·Br(-), both cyclo-hexane rings adopt the usual chair conformation. The cation and anion are linked by N-H⋯Br hydrogen bonds into a linear chain running along the c axis.
The 4-nitro-cinnamate anion in the title compound, [Sn(C(7)H(7))(3)(C(9)H(6)NO(4))](n), bridges adjacent tribenzyl-tin cations into a helical chain running along the b axis. The Sn atoms in the two independent mol-ecules adopt distorted trans-C(3)SnO(2) trigonal-bipyramidal geometries. The repeat distance of the polymeric chain is b/2.
The anion in the title compound, (C(7)H(11)N(2))[SnBr(2)(CH(3))(2)(C(6)H(4)Br)], is five-coordinate within a distorted trans-C(3)SnBr(2) trigonal-bipyramidal geometry. The cation and anion are linked by an N-H⋯Br hydrogen bond.
The mol-ecule of the title compound, [Sn(C(5)H(5)S)(4)], lies on a special position of site symmetry. The Sn(IV) atom shows a slightly distorted tetra-hedral coordination.
The title compound, C(13)H(16)N(2)O(3)S, is a thio-urea derivative with benzoyl and propoxycarbonyl-methyl groups attached to the two terminal N atoms. These groups adopt trans and cis configurations, respectively, with respect to the S atom across the thio-urea C-N bonds. The compound crystallizes in the P2(1)/c space group with Z = 8, resulting in two unique molecules in the asymmetric unit linked by C-H⋯S and C-H⋯O hydrogen bonds, forming a one-dimensional zigzag chain along the c axis.
The two aromatic rings in the title compound, C(10)H(9)N(3), are inclined at 15.2 (1)° to each other; this opens up the angle at the amino N atom to 130.4 (1)°. The amino N atom forms a hydrogen bond to the 4-N atom of an adjacent mol-ecule to create a chain motif.
The two aromatic rings in the title compound, C(10)H(9)N(3), are aligned at 23.4 (1)° and the bridging C-N-C angle is 128.9 (1)°. In the crystal structure, intermolecular N-H⋯N hydrogen bonds result in a chain motif, the repeat distance of which is half the b axial length of 8.8851 (3) Å.
The C(10)H(8)N(3)S(2) portion of the title mol-ecule, C(17)H(15)N(3)S(3), is nearly planar (r.m.s. deviation 0.05 Å); this unit and the phenyl ring subtend an angle of 114.5 (2)° at the methyl-ene C atom.
The two aromatic parts of the title mol-ecule, C(16)H(12)BrN(3)O(4), are connected through a conjugated -CH=N-NH-C(O)- fragment to furnish an almost planar mol-ecule. Adjacent mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds into a three-dimensional network. An intramolecular O-H⋯O link also occurs.
The mol-ecule of the title Schiff base compound, C(16)H(12)Cl(4)N(2), lies across an inversion centre and adopts an E configuration with respect to the azomethine C=N bond. The imine groups are coplanar with the aromatic rings. Within the mol-ecule, the planar units are parallel but extend in opposite directions from the dimethyl-ene bridge. In the crystal structure, mol-ecules are linked together by inter-molecular C-H⋯Cl hydrogen bonds along the a axis.