Diaqua-bis-(2-chloro-benzoato-κO)bis-(nicotinamide-κN (1))cobalt(II).

In the title complex, [Co(C7H4ClO2)2(C6H6N2O)2(H2O)2], the Co(II) cation is located on an inversion center and is coord-inated by two 2-chloro-benzoate anions, two nicotin-amide (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 pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 29.7 (4)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.17 (15)°. Intra-molecular O-H⋯O hydrogen bonding occurs between the carboxyl-ate group and coordinating water mol-ecule. In the crystal, inter-molecular N-H⋯O, O-H⋯O and weak C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

Bis(µ-4-methyl-benzoato)-κ(3) O,O':O;κ(3) O:O,O'-bis-[aqua-(4-methyl-benzoato-κ(2) O,O')(nicotinamide-κN (1))cadmium].

In the dinuclear centrosymmetric title compound, [Cd2(C8H7O2)4(C6H6N2O)2(H2O)2], the Cd(II) ion is chelated by two carboxyl-ate groups from 4-methyl-benzoate anions, and is further coordinated by one nicotinamide and one water mol-ecule; a carboxyl-ate O atom from an adjacent 4-methyl-benzoate anion bridges to the Cd(II) ion, completing the irregular coordination sphere of the seven ligand atoms. In the crystal, inter-molecular O-H⋯O, N-H⋯O and weak C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. The methyl-benzene moiety of one bridging 4-methyl-benzoate anion is disordered over two orientations of equal occupancy.

catena-Poly[[[bis-(4-ethyl-benzoato-κO,O')lead(II)]-µ-nicotinamide-κN:O] monohydrate].

In the crystal structure of the polymeric title compound, {[Pb(C(9)H(9)O(2))(2)(C(6)H(6)N(2)O)]·H(2)O}(n), the six-coordinate Pb(II) ion is chelated by two 4-ethyl-benzoate (PEB) anions and is bridged by two nicotinamide (NA) ligands, forming a polymeric chain running along the b axis. The carboxyl-ate groups of the PEB ions are twisted away from the attached benzene rings by 4.0 (6) and 13.3 (5)°. The two benzene rings of the PEB ions bonded to the same metal ion are oriented at a dihedral angle of 87.4 (3)°. In the polymeric chain, the NA ligand is linked to one of the carboxyl-ate groups via N-H⋯O hydrogen bonding. In the crystal, adjacent polymeric chains inter-act via N-H⋯O and weak C-H⋯O hydrogen bonds; and the lattice water mol-ecule links with the polymeric chains via N-H⋯O and O-H⋯O hydrogen bonding. π-π stacking between the benzene and the pyridine rings [centroid-centroid distance = 3.805 (5) Å] and weak C-H⋯π inter-actions are also observed in the crystal structure.

Poly[[diaqua-manganese(II)]-bis-(µ-4-fluoro-benzoato-κO:O')].

In the crystal structure of the title complex, [Mn(C(7)H(4)FO(2))(2)(H(2)O)(2)](n), the Mn(II) atom is located on an inversion centre. It is coordinated by two water mol-ecules in the apical directions and four 4-fluoro-benzoate (PFB) anions, bridging the symmetry related Mn atoms in the basal plane to form an infinite two-dimensional polymeric structure parallel to (100). The four O atoms of the PFB anions around the Mn(II) atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two O atoms of the water mol-ecules. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 27.29 (16)°. The O-H⋯O hydrogen bonds further connect the manganese-carboxyl-ate units. π-π contacts between the benzene rings [centroid-centroid distance = 3.6894 (15) Å] further stabilize the crystal structure.

Bis-(4-fluoro-benzoato)-κO,O';κO-(4-fluoro-benzoic acid-κO)bis-(nico-tinamide-κN)copper(II).

In the title Cu(II) complex, [Cu(C(7)H(4)FO(2))(2)(C(7)H(5)FO(2))(C(6)H(6)N(2)O)(2)], the Cu(II) cation is coordinated by two N atoms of two nicotinamide (NA) ligands, and by four O atoms from two 4-fluoro-benzoate (PFB) anions and one 4-fluoro-benzoic acid (PFBA) mol-ecule, in a distorted octa-hedral geometry. In the mol-ecule, two Cu-O bond lengths are significantly longer than the other two. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 11.08 (14), 7.62 (13) and 5.73 (11)°, while the benzene rings are oriented at dihedral angles of 15.62 (6), 33.71 (8) and 26.60 (8)°. In the crystal structure, extensive N-H⋯O, C-H⋯F and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π contacts between the benzene rings [centroid-to-centroid distances = 3.5517 (15), 3.8456 (14) and 3.9265 (13) Å] further stabilize the crystal structure.

Diaqua-bis-(4-bromo-benzoato-κO)bis-(nicotinamide-κN)copper(II).

The asymmetric unit of the title mononuclear Cu(II) complex, [Cu(C(7)H(4)BrO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], contains one half-mol-ecule, the Cu(II) atom being located on an inversion center. The unit cell contains two nicotinamide (NA), two 4-bromo-benzoate (PBB) ligands and two coordinated water mol-ecules. The four O atoms in the equatorial plane around the Cu(II) ion 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 22.17 (16)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 82.80 (6)°. In the crystal, N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. A weak C-H⋯π inter-action is also observed.

Ethyl 4-oxo-2,3,4,9-tetra-hydro-1H-carbazole-3-carboxyl-ate.

In the title compound, C(15)H(15)NO(3), the carbazole skeleton includes an eth-oxy-carbonyl group at the 3-position. In the indole ring system, the benzene and pyrrole rings are nearly coplanar, forming a dihedral angle of 0.89 (4)°. The cyclo-hexenone ring has an envelope conformation. In the crystal, inter-molecular N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three dimensional network. A weak C-H⋯π inter-action is also observed.

2-Methyl-5,6-dinitro-benzimidazolium chloride.

In the title compound, C(8)H(7)N(4)O(4) (+)·Cl(-), the cation possesses twofold symmetry, with the twofold axis bis-ecting the 2-methyl-5,6-dinitro-benzimidazolium cation. The methyl H atoms are disordered about this twofold axis and were assigned equal half-occupancies. The chloride anion also lies on a twofold axis. In the crystal, N-H⋯Cl and C-H⋯O hydrogen bonds link the ions to form a three-dimensional network.

Diaqua-bis-(N,N-diethyl-nicotinamide-κN)bis-(4-ethyl-benzoato-κO)cobalt(II).

The title Co(II) complex, [Co(C(9)H(9)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains two 4-ethyl-benzoate (PEB), two monodentate diethyl-nicotinamide (DENA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Co(II) ion 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. Intra-molecular O-H⋯O hydrogen bonds link the water mol-ecules to the carboxyl-ate groups. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 4.52 (18) and 4.56 (18)°, while the pyridine rings and the benzene rings are oriented at dihedral angles of 7.76 (10) and 5.67 (13)°. In the crystal, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into chains propagating along [010]. C-H⋯O inter-actions and a π-π contact between the pyridine rings [centroid-centroid distance = 3.476 (2) Å] are also observed.

2-(Naphthalen-1-yl)-4-(naphthalen-1-yl-methyl-idene)-1,3-oxazol-5(4H)-one.

In the title compound, C(24)H(15)NO(2), the oxazole ring is oriented at dihedral angles of 10.09 (4) and 6.04 (4)° with respect to the mean planes of the naphthalene ring systems, while the two naphthalene ring systems make a dihedral angle of 4.32 (3)°. Intra-molecular C-H⋯N hydrogen bonds link the oxazole N atom to the naphthalene ring systems. In the crystal, inter-molecular weak C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. π-π contacts between the oxazole and naphthalene rings and between the naphthalene ring systems [centroid-centroid distances = 3.5947 (9) and 3.7981 (9) Å] may further stabilize the crystal structure. Three weak C-H⋯π inter-actions also occur.

Triethyl-ammonium (S)-(-)-O-[1-(2-naphth-yl)eth-yl] (4-meth-oxy-phen-yl)dithio-phospho-nate.

The crystal structure of the title compound, C(6)H(16)N(+)·C(19)H(18)O(2)PS(2) (-), consists of the dithio-phospho-nate anions and the triethyl-ammonium cations, which are linked by N-H⋯S hydrogen bonds and weak C-H⋯O hydrogen bonds. In the anion, the benzene ring is oriented with respect to the naphthalene ring system at a dihedral angle of 24.92 (5)°. In the crystal, weak C-H⋯π inter-actions also occur.

Diaqua-bis-(N,N'-diethyl-nicotinamide-κN)bis-(4-ethyl-benzoato-κO)copper(II).

The title Cu(II) complex, [Cu(C(9)H(9)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains two 4-ethyl-benzoate (PEB) ligands, two monodentate diethyl-nicotinamide (DENA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Cu(II) ion form a slightly distorted square-planar arrangement, while the distorted octa-hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. Intra-molecular O-H⋯O hydrogen bonds link the water mol-ecules to the carboxyl-ate groups. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 4.6 (3) and 3.7 (2)°, while the pyridine rings and the benzene rings are oriented at dihedral angles of 6.82 (11) and 3.63 (14)°. In the crystal, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into chains propagating along [010]. C-H⋯O inter-actions and a π-π contact between the pyridine rings [centroid-centroid distance = 3.469 (2) Å] are also observed.

2-(Naphthalen-1-yl)-4-(thio-phen-2-yl-methyl-idene)-1,3-oxazol-5(4H)-one.

The asymmetric unit of the title compound, C(18)H(11)NO(2)S, contains two crystallographically independent mol-ecules. In one mol-ecule, the oxazole and thio-phene rings are oriented at dihedral angles of 17.40 (9) and 18.18 (7)° with respect to the naphthalene ring system, while the oxazole and thio-phene rings are oriented to each other at a dihedral angle of 0.86 (9)°. In the other mol-ecule, the corresponding angles are 3.05 (8), 9.62 (6) and 7.02 (8)°, respectively. In each mol-ecule, a weak intra-molecular C-H⋯N hydrogen bond links the oxazole N atom to the naphthalene group. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure. π-π stacking between the oxazole and thio-phene rings, between the thio-phene and naphthalene rings, and between the oxaozole and naphthalene rings, [centroid-centroid distances = 3.811 (2), 3.889 (2), 3.697 (2) and 3.525 (2) Å] may further stabilize the crystal structure.

9-(4-Nitro-phenyl-sulfon-yl)-9H-carbazole.

In the title mol-ecule, C(18)H(12)N(2)O(4)S, the carbazole skeleton is nearly planar [maximum deviation = 0.037 (1) Å] and is oriented at a dihedral angle of 73.73 (5)° with respect to the benzene ring. An intra-molecular C-H⋯O hydrogen bond links a nitro O atom to the carbazole skeleton. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π contacts between inversion-related benzene rings [centroid-centroid distance = 3.7828 (8) Å] and two weak C-H⋯π inter-actions may also stabilize the structure.

Bis(4-ethyl-benzoato-κO)bis-(nicotin-amide-κN)zinc(II).

The title Zn(II) complex, [Zn(C(9)H(9)O(2))(2)(C(6)H(6)N(2)O)(2)], contains two 4-ethyl-benzoate and two nicotinamide monodentate ligands, leading to a distorted tetrahedral coordination of the Zn(II) ion. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 10.33 (13) and 2.38 (11)°, while opposite pyridine and benzene rings are oriented at dihedral angles of 68.46 (5) and 81.09 (6)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules, forming a three-dimensional network. C-H⋯O inter-actions also occur as well as two weak C-H⋯π inter-actions involving the benzene rings.

5-(3,6-Dibromo-9H-carbazol-9-yl)penta-nenitrile.

In the title compound, C(17)H(14)Br(2)N(2), the carbazole skeleton is nearly planar [maximum deviation = 0.055 (2) Å]. In the crystal, aromatic π-π stacking is observed between parallel carbazole ring systems of adjacent mol-ecules, the shortest centroid-centroid distance between benzene rings being 3.4769 (11) Å.

Dimethyl 2-methyl-1,2-dihydro-quinoline-2,4-dicarboxyl-ate.

In the crystal of the title compound, C(14)H(15)NO(4), pairs of inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric R(2) (2)(10) dimers. These dimers are further connected via inter-molecular C-H⋯O hydrogen bonds, forming a three-dimensional network. The heterocyclic ring adopts a twisted conformation.

Diaqua-bis(4-methyl-benzoato-κO)bis-(nicotinamide-κN)manganese(II).

In the mononuclear title complex, [Mn(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Mn(II) ion is located on a crystallographic inversion center. The asymmetric unit contains one 4-methyl-benzoate anion, one nicotinamide (NA) ligand and one coordinated water mol-ecule. The four O atoms in the equatorial plane around the Mn(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 9.01 (7)°, while the pyridine and benzene rings are oriented at a dihedral angle of 42.44 (5)°. In the crystal structure, inter-molecular O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, and O-H⋯π and C-H⋯π inter-actions link the mol-ecules into a two-dimensional network parallel to (001).

Diaqua-bis(N,N-diethyl-nicotinamide-κN)bis-(4-methyl-benzoato-κO)cobalt(II).

In the centrosymmetric mononuclear title complex, [Co(C(8)H(7)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Co(II) ion is located on an inversion center. The asymmetric unit contains one 4-methyl-benzoate (PMB) anion, one N,N-diethyl-nicotinamide (DENA) ligand and one coordinated water mol-ecule. The four O atoms in the equatorial plane around the Co(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 3.73 (14)°, while the pyridine and benzene rings are oriented at a dihedral angle of 77.28 (6)°. In the crystal structure, inter-molecular O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (001). The structure is further stabilized by π-π contacts between the pyridine rings [centroid-centroid distance = 3.544 (1) Å] and weak C-H⋯π inter-actions involving the benzene ring.

Tetra-aqua-bis[4-(methyl-amino)benzoato-κO]nickel(II).

The title complex, [Ni(C(8)H(8)NO(2))(2)(H(2)O)(4)], is centrosymmetric with the Ni(II) ion located on a centre of symmetry. It contains two 4-(methyl-amino)benzoate (PMAB) anions and four coordinated water mol-ecules. The four O atoms in the equatorial plane around the Ni(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by two O atoms of the PMAB anions in the axial positions. In the crystal structure, inter-molecular O-H⋯O, O-H⋯N, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.