Crystal structure of 4-(3,4-di-cyano-phen-oxy)-N-[3-(di-methyl-amino)-prop-yl]benzamide mono-hydrate: a phen-oxy-phthalo-nitrile derivative.

In the title compound, C20H20N4O2·H2O, the planes of the phen-oxy and phthalo-nitrile rings are oriented at a dihedral angle of 60.39 (5)°. The 3-(di--methyl-amino)-propyl chain has an extended conformation and is cis with respect to the phthalo-nitrile ring.

Ethyl 4,9-dimethyl-9H-carbazole-3-carboxyl-ate.

In the title compound, C17H17NO2, the carbazole skeleton includes an eth-oxy-carbonyl group at the 3-position. The indole three-ring system is almost planar [maximum deviation = 0.065 (2) Å], and the ethyl ester group is inclined to its mean plane by 15.

catena-Poly[[di-aqua-bis-(4-formyl-benzo-ato-κO (1))nickel(II)]-μ-pyrazine-κ(2) N:N'].

In the title polymeric compound, [Ni(C8H5O3)2(C4H4N2)(H2O)2] n , the Ni(II) atom is located on a twofold rotation axis and has a slightly distorted octa-hedral coordination sphere. In the equatorial plane, it is coordinated by two carboxyl-ate O atoms of two symmetry-related monodentate formyl-benzoate anions and by two N atoms of the bridging pyrazine ligand, which is bis-ected by the twofold rotation axis. The axial positions are occupied by two O atoms of the coordinating water mol-ecules.

catena-Poly[[aqua-bis-(4-formyl-benzoato-κ(2) O (1),O (1'))cadmium]-μ-pyrazine-κ(2) N:N'].

The polymeric title compound, [Cd(C8H5O3)2(C4H4N2)(H2O)] n , contains two 4-formyl-benzoate (FB) anions, one pyrazine mol-ecule and one coordinating water mol-ecule; the FB anions act as bidentate ligands. The O atom, the aldehyde H atom and the benzene ring of one of the FB anions are disordered over two positions. The O atoms were freely refined [refined occupancy ratio 0.

2-{N-[(2,3,4,9-Tetra-hydro-1H-carbazol-3-yl)meth-yl]methyl-sulfonamido}-ethyl methane-sulfonate.

In the title compound, C17H24N2O5S2, the indole ring system is nearly planar [maximum deviation = 0.032 (1) Å] and the cyclo-hexene ring has a half-chair conformation. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into a chain running along the b-axis direction.

catena-Poly[[di-aqua-bis-(4-formyl-benzoato-κO (1))copper(II)]-μ-pyrazine-κ(2) N:N'].

In the title polymeric compound, [Cu(C8H5O3)2(C4H4N2)(H2O)2] n , the Cu(II) atom is located on a twofold rotation axis and has a slightly distorted octa-hedral coordination sphere. In the equatorial plane, it is coordinated by two carboxyl-ate O atoms of two symmetry-related monodentate formyl-benzoate anions and by two N atoms of the bridging pyrazine ligand, which is bis-ected by the twofold rotation axis. The axial positions are occupied by two O atoms of the coordinating water mol-ecules.

2-{4-Methyl-N-[(2,3,4,9-tetra-hydro-1H-carbazol-3-yl)meth-yl]benzene-sulfon-amido}-ethyl 4-methyl-benzene-sulfonate.

In the title compound, C29H32N2O5S2, the indole ring system is nearly planar, with a maximum deviation of 0.013 (2) Å, and the cyclo-hexenone ring has an envelope conformation with the methine C atom as the flap. The two methyl-benzene rings are approximately perpendicular to each other, making a dihedral angle of 89.

Methyl 6-de-oxy-6-iodo-2,3-O-iso-propyl-idene-α-d-manno-pyran-oside.

In the title compound, C10H17IO5, the six-membered tetra-hydro-pyran ring and the five-membered 1,3-dioxolane ring adopt sofa and envelope conformations, respectively. In the crystal, O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into layers nearly parallel to the bc plane.

catena-Poly[[aqua-bis-(3-chloro-benzoato-κ(2) O,O')cadmium]-μ-N,N-di-ethyl-nico-tin-amide-κ(2) N (1):O].

In the crystal of the title Cd(II) polymeric complex, [Cd(C7H4ClO2)2(C10H14N2O)(H2O)] n , the Cd(II) cation is chelated by two chloro-benzoate anions and coordinated by two N,N-di--ethyl-nicotinamide (DENA) ligands and one water mol-ecule in a distorted NO6 penta-gonal-bipyramidal geometry. The Cd(II) cations are bridged by the pyridine N atom and carbonyl O atom of the DENA ligand to form a polymeric chain running along the b axis. Inter-molecular O-H⋯O hydrogen bonds between coordinating water mol-ecules and carboxyl-ate groups link adjacent chains into layers parallel to the bc plane.

Aqua-bis-(3-chloro-benzoato-κO)bis-(N,N-di-ethyl-nicotinamide-κN)copper(II).

The title compound, [Cu(C7H4ClO2)2(C10H14N2O)2(H2O)], has twofold symmetry with the Cu(II) cation and the O atom of the coordinating water mol-ecule located on the axis. The Cu(II) cation is coordinated by two carboxyl-ate O atoms of chloro-benzoate (CB) anions, two N atoms of N,N-di-ethyl-nicotinamide (DENA) ligands and one water mol-ecule in a distorted N2O3 square-pyramidal geometry. The benzene and pyridine rings are oriented at a dihedral angle of 82.

Tetra-kis(μ-3-chloro-benzoato-κ(2) O:O')bis-[(N,N-di-ethyl-nicotinamide-κN (1))copper(II)].

In the title centrosymmetric binuclear Cu(II) complex, [Cu2(C7H4ClO2)4(C10H14N2O)2], the two Cu(II) cations [Cu⋯Cu = 2.6314 (4) Å] are bridged by four 3-chloro-benzoate (CB) anions. The four carboxyl-ate O atoms around each Cu(II) cation form a distorted square-planar arrangement, the distorted square-pyramidal coordination geometry being completed by the pyridine N atom of the N,N-di-ethyl-nicotinamide (DENA) mol-ecule.

Di-μ-nicotinamide-κ(2) N (1):O;κ(2) O:N (1)-bis-[aqua-bis-(3-chloro-benzoato-κ(2) O,O')cadmium].

In the centrosymmetric dinuclear title compound, [Cd2(C7H4ClO2)4(C6H6N2O)2(H2O)2], the Cd(II) atom is coord-inated by one N atom from one bridging nicotinamide ligand and one O atom from another symmetry-related bridging nicotinamide ligand, four O atoms from two 3-chloro-benzoate ligands and one water mol-ecule in an irregular geometry. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 6.98 (12) and 2.

catena-Poly[aqua-bis-(μ-3-chloro-benzo-ato-κ(2) O:O')zinc].

In the polymeric title compound, [Zn(C7H4ClO2)2(H2O)] n , the Zn(II) cation is located on a twofold rotation axis and is coordinated by carboxylate O atoms of four monodentate chloro-benzoate anions and by one water mol-ecule, located on a twofold rotation axis, in a distorted square-pyramidal geometry. In the anion, the carboxyl-ate group is twisted away from the attached benzene ring by 44.16 (11)°.

Bis(3-chloro-benzoato-κ(2) O,O')bis-(nicotinamide-κN)copper(II).

The mol-ecule of the title Cu(II) complex, [Cu(C7H4ClO2)2(C6H6N2O)2], contains two 3-chloro-benzoate (CB) and two nicotinamide (NA) ligands; the CB act as bidentate ligands, while the NA are monodentate ligands. The resulting CuN2O4 coordination polyhedron is a considerably distorted octahedron. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 17.

Di-aqua-bis-(3-chloro-benzoato-κO)bis-(nicotinamide-κN (1))cobalt(II).

In the title complex, [Co(C7H4ClO2)2(C6H6N2O)2(H2O)2], the Co(II) atom is located on an inversion center and is coordinated by two 3-chloro-benzoate (CB) anions, two nicotinamide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 9.

9H-Carbazole-9-carbo-thioic di-thio-peroxy-anhydride.

The whole mol-ecule of the title compound, C26H16N2S4, is generated by twofold rotational symmetry. The carbazole skeleton is nearly planar [maximum deviation = 0.054 (5) Å].

Bis(μ-4-formyl-benzoato-κ(2) O:O')bis-[(4-formyl-benzoato-κ(2) O,O')bis-(iso-nicotin-amide-κN (1))copper(II)].

The asymmetric unit of the centrosymmetric dinuclear title compound, [Cu2(C8H5O3)4(C6H6N2O)4], contains one half of the complex mol-ecule. The Cu(II) atoms are bridged by the carboxyl-ate groups of two 4-formyl-benzoate (FOB) anions. Besides the two bridging FOB anions, one additional chelating FOB anion and two isonicotinamide (INA) ligands complete the distorted CuN2O4 octa-hedral coordination of each Cu(2+) cation.

3,9-Dimethyl-2,3-dihydro-spiro-[carb-az-ole-1,2'-[1,3]dithio-lan]-4(9H)-one.

The title compound, C16H17NOS2, consists of a carbazole skeleton with methyl and dithiol-ane groups as substituents. In the indole ring system, the benzene and pyrrole rings are nearly coplanar, forming a dihedral angle of 1.02 (11)°.

trans-Tetra-aqua-bis-(isonicotinamide-κN (1))zinc bis-(3-hy-droxy-benzoate) tetra-hydrate.

The asymmetric unit of the title compound, [Zn(C6H6N2O)2(H2O)4](C7H5O3)2·4H2O, contains half of the complex cation with the Zn(II) ion located on an inversion center, a 3-hy-droxy-benzoate counter-anion and two uncoordinating water mol-ecules. Four water O atoms in the equatorial plane around the Zn(II) ion [Zn-O = 2.089 (2) and 2.

Diaqua-bis-(2-hy-droxy-benzoato-κO (1))bis-(nicotinamide-κN (1))cadmium-diaqua-bis-(2-hy-droxy-benzoato-κ(2) O (1),O (1'))(nico-tin-amide-κN)cadmium-water (1/2/4).

The crystal structure of the title compound, [Cd(C7H5O3)2(C6H6NO)2(H2O)2]·2[Cd(C7H5O3)2(C6H6NO)(H2O)2]·4H2O, consists of two kinds of Cd(II) complexes (A and B) and lattice water mol-ecules. In complex A, [Cd(C7H5O3)2(C6H6NO)2(H2O)2], the Cd(II) cation is located on an inversion center and is coordinated by two salicylate anions, two nicotinamide (NA) ligands and two water mol-ecules in a slightly distorted octa-hedral geometry. In complex B, [Cd(C7H5O3)2(C6H6NO)(H2O)2], the Cd(II) cation is coordinated by two salicylate anions, one nicotinamide (NA) ligand and two water mol-ecules in an irregular seven-coordinate geometry.

Poly[(μ(5)-2,2'-bipyridine-5,5'-dicarboxyl-ato)lead(II)].

In the title polymeric compound, [Pb(C(12)H(6)N(2)O(4))](n), the Pb(II) cation, located on a mirror plane, is N,N'-chelated by a 2-2'-bipyridine-5,5'-dicarboxyl-ate (bpdc) anion and is further coordinated by six O atoms from four carboxyl groups of bpdc anions in an irregular N(2)O(6) geometry. The carboxylate groups bridge the Pb(II) cations, forming a three-dimensional polymeric structure. The carboxyl-ate group is twisted away from the attached pyridine ring by 11.

Diaqua-bis-(2-iodo-benzoato-κO)bis-(nicotinamide-κN(1))copper(II).

In the title complex, [Cu(C(7)H(4)IO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Cu(II) cation is located on an inversion center and is coordinated by two monodentate 2-iodo-benzoate (IB) anions, two nicotinamide (NA) ligands and two water mol-ecules in a distorted octa-hedral coordination geometry. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 32.12 (14)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 82.

Diaqua-bis-(4-formyl-benzoato-κO(1))bis-(nicotinamide-κN(1))zinc.

In the title complex, [Zn(C(8)H(5)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Zn(II) cation is located on an inversion center and is coordinated by two 4-formyl-benzoate (FB) anions, two nicotinamide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Zn(II) cation form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 24.

Diaqua-bis-(4-formyl-benzoato-κO(1))bis-(nicotinamide-κN(1))cobalt(II).

In the title complex, [Co(C(8)H(5)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Co(II) cation is located on an inversion center and is coordinated by two 4-formyl-benzoate (FB) anions, two nicotinamide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Co(II) cation form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 23.

Diaqua-bis-(N,N-diethyl-nicotinamide-κN(1))bis-(4-formyl-benzoato-κO(1))zinc.

In the title complex, [Zn(C(8)H(5)O(3))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Zn(II) cation is located on an inversion center and is coordinated by two 4-formyl-benzoate anions, two N,N-diethyl-nicotinamide (DENA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Zn(II) cation form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 2.