Bis(1H-benzotriazole-7-sulfonato-κO)bis-(1,10-phenanthroline-κN,N')cadmium dihydrate.

In the title complex, [Cd(C(6)H(4)N(3)O(3)S)(2)(C(12)H(8)N(2))(2)]·2H(2)O, the Cd(2+) cation is located on an inversion center and is coordinated by four N atoms from two symmetry-related 1,10-phenanthroline ligands and two sulfonate O atoms from two benzotriazole-7-sulfonate anions, displaying a distorted CdN(4)O(2) octa-hedral geometry. In the crystal, O-H⋯N, O-H⋯O, N-H⋯O, C-H⋯N and C-H⋯O hydrogen bonds occur. The lattice water mol-ecules and sulfonate O atoms as donor or acceptor atoms play important roles in the formation of these inter-actions.

Bis(1H-benzotriazole-4-sulfonato-κN,O)(2,2'-bipyridyl-κN,N')cadmium.

In the title complex, [Cd(C(6)H(4)N(3)O(3)S)(2)(C(10)H(8)N(2))], the Cd(2+) cation is located on a twofold rotation axis and is coordinated by two N and two O atoms from two symmetry-related benzotriazole-4-sulfonate anions and two N atoms from a 2,2-bipyridyl ligand, displaying a distorted CdN(4)O(2) octa-hedral geometry. The crystal structure is stabilized by N-H⋯O and C-H⋯O hydrogen-bonding inter-actions.

Tetra-aqua-bis-{5-[4-(imidazol-1-yl-κN)phen-yl]tetra-zolido}manganese(II).

In the title complex, [Mn(C(10)H(7)N(6))(2)(H(2)O)(4)], the Mn(2+) cation is located on a twofold rotation axis and is coordinated by two N atoms from two 5-[4-(imidazol-1-yl)phen-yl]tetra-zolide ligands and four O atoms from four water mol-ecules, displaying a distorted MnN(2)O(4) octa-hedral geometry. The crystal structure is stabilized by intermolecular O-H⋯N hydrogen bonds involving the coordinated water mol-ecules and the N atoms of the tetra-zolide group.

catena-Poly[[(1,10-phenanthroline-κN,N')zinc]-µ-4-sulfonato-benzo-triazolido-κN,O:N].

In the title complex, [Zn(C(6)H(3)N(3)O(3)S)(C(12)H(8)N(2))](n), the Zn(2+) cation is coordinated by two N atoms from two 4-sulfonato-benzotriazolide dianions, two N atoms from a 1,10-phenanthroline mol-ecule and a sulfonate O atom from a 4-sulfonato-benzotriazolide anion, displaying a distorted ZnN(4)O trigonal-bipyramidal geometry. Each 1,10-phenanthroline ligand displays a bidentate chelating coordinating mode and the 4-sulfonato-benzotriazolide ions act as µ(2)-bridges, linking different Zn(2+) cations into a chain along the b axis. The crystal structure is consolidated by C-H⋯O hydrogen-bonding inter-actions.

Poly[[(µ(3)-5-amino-isophthalato-κO:O:N)(1H-imidazole-κN)zinc] 0.25-hydrate].

In the title coordination polymer, {[Zn(C(8)H(5)NO(4))(C(3)H(4)N(2))]·0.25H(2)O}(n), the Zn(2+) cation has an N(2)O(2) donor set involving two carboxyl-ate O atoms from two 5-amino-isophthalate anions, one N atom from a 5-amino-isophthalate anion, and one imidazole N atom displaying a slightly distorted tetra-hedral geometry with two additional O-atom neighbours, with Zn-to-ligand distances of 2.711 (2) and 2.717 (2) Å, respectively. Each 5-amino-isophthalate anion acts as a µ(3)-bridge linking symmetry-related Zn(II) ions into a layered polymeric structure parallel to (100). The asymmetric unit also comprises a disordered crystal water molecule located on an inversion centre with 0.25 occupancy. In the crystal, N-H⋯O hydrogen bonds form a three-dimensional network.

Poly[aqua-{µ(3)-5-[(pyridin-2-ylmeth-yl)amino]-isophthalato-κN,N':O,O:O}cobalt(II)].

In the title polymer, {[Co(C(14)H(10)N(2)O(4))(H(2)O)]·3.5H(2)O}(n), the Co(2+) ion is coordinated by three carboxyl-ate O atoms from two 5-[(pyridin-2-ylmeth-yl)amino]-isophthalate anions, two N atoms from a (pyridin-2-ylmeth-yl)amino group and an O atom from a water mol-ecule, furnishing a distorted CoO(4)N(2) octa-hedral geometry. Each anion acts as a µ(3)-bridge, linking cobalt ions into a two-dimensional layer parallel to (100). The asymmetric unit also contains three and a half solvent water mol-ecules, which could not be modeled. Therefore, the diffraction contribution of the solvent water mol-ecules was removed by the subroutine SQUEEZE in PLATON [Spek (2009). Acta Cryst. D65, 148-155]. The crystal structure is stabilized by O-H⋯O hydrogen bonds in which the coordinated water mol-ecule acts as donor and the carboxyl-ate O atoms as acceptors.

Second monoclinic polymorph of 4-[(1H-benzimidazol-1-yl)meth-yl]benzoic acid.

Recently, we reported the first monoclinic [Kuai & Cheng (2011). Acta Cryst., E67, o2787] and the ortho-rhom-bic polymorph [Kuai & Cheng (2011). Acta Cryst., E67, o3014] of the title compound, C(15)H(12)N(2)O(2). Another monoclinic polymorph was obtained accidentally by the hydro-thermal reaction of the title compound with manganese chloride in the presence of potassium hydroxide at 413 K. The asymmetric unit consists of four independent mol-ecules. In the crystal, O-H⋯N hydrogen bonds link the independent mol-ecules into four separate chains parallel to the b axis.

5-[(1H-Benzimidazol-1-yl)meth-yl]benzene-1,3-dicarb-oxy-lic acid.

Crystals of the title compound, C(16)H(12)N(2)O(4), were obtained accidentally from a hydro-thermal reaction of 5-[(1H-benzimidazol-1-yl)meth-yl]isophthalic acid with manganese bromide in the presence of N,N'-dimethyl-formamide. In the title mol-ecule, the benzimidazole ring system is almost planar, with a maximum deviation from the mean plane of 0.010 (2) Å. The benzimidazole and central benzene rings are inclined at a dihedral angle of 71.7 (6)°. The crystal structure is stabilized by O-H⋯N and O-H⋯O hydrogen bonds.

Monoclinic polymorph of 4-[(1H-benz-imidazol-1-yl)meth-yl]benzoic acid.

Three polymorphs of the title compound, C(15)H(12)N(2)O(2), were obtained accidentally as single crystals in the hydro-thermal reaction of the title compound with manganese bromide in the presence of N,N'-dimethyl-formamide at 373 K. Here we report the structure of the first polymorph. The benzimidazole ring is almost planar, the maximum deviation from the mean plane being 0.016 (1) Å. The benzimidazole and benzene rings are approximately perpendicular, making a dihedral angle 85.56 (7)°, which is a reflection of the axial rotation of the flexible benzimidazolyl arm. In the crystal, adjacent mol-ecules are connected through O-H⋯N hydrogen bonds into a chain along [100], and neighboring chains are further linked by via weak C-H⋯O hydrogen-bonding inter-actions, forming a two-dimensional network.

catena-Poly[[diaqua-bis-{µ(2)-3,5-bis-[(pyridin-4-yl)methyl-amino]-benzoato}nickel] monohydrate].

In the title coordination polymer, {[Ni(C(19)H(17)N(4)O(2))(2)(H(2)O)(2)]·H(2)O}(n), the Ni(2+) cation is located on an inversion center and coordinated by two carboxyl-ate O atoms from two different 3,5-bis-(pyridin-4-yl-methyl-amino)-benzoate anions, two O atoms from two coordinated water mol-ecules and two N atoms from two different 3,5-bis-(pyridin-4-yl-methyl-amino)-benzoate anions, displaying a slightly distorted NiN(2)O(4) octa-hedral geometry. Each 3,5-bis-(pyridin-4-yl-methyl-amino)-benzoate anion acts as a µ(2)-bridge, linking different nickel ions into a chain along [010]. In the crystal, adjacent chains are further linked through N-H⋯O, O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds into a three-dimensional network. The coordinated water mol-ecules and a disordered water mol-ecule of hydration with 0.50 site occupancy play an important role in the formation of these hydrogen-bonding inter-actions.

Methyl 1-(2,6-difluoro-benz-yl)-1H-1,2,3-triazole-4-carboxyl-ate.

In the title compound, C(11)H(9)F(2)N(3)O(2), the triazole ring is planar, with an r.m.s. deviation of 0.0048 Å, and makes a dihedral angle of 77.3 (1)° with the benzene ring. In the crystal, weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules into chains along the b axis.

(Z)-3-(Benzyl-carbamo-yl)prop-2-enoic acid.

The title compound, C(11)H(11)NO(3), was synthesized by the reaction of maleic andydride and phenyl-methanamine. The mol-ecular conformation is stabilized by by an intra-molecular O-H⋯O hydrogen bond. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, forming a chain along the b axis.

2-(4-Bromo-phen-yl)-1-ethyl-1H-1,3-benzodiazole.

In the title compound, C(15)H(13)BrN(2), the benzimidazole group is almost planar, as indicated by the dihedral angle of 2.6 (3)° between the best planes through the benzene and imidazole rings. The best plane through the attached benzene makes an angle of 44.5 (2)° with the best plane through the benzimidazole system. C-H⋯π inter-actions are observed in the crystal structure.

Diaqua-tetra-kis-(1,3-di-4-pyridylpropane-κN)-manganese(II) bis-(perchlorate) ses-qui-hydrate.

In the title complex, [Mn(C(13)H(14)N(2))(4)(H(2)O)(2)](ClO(4))(2)·1.5H(2)O, the Mn(II) ion is coordinated by four N atoms from four different 1,3-di-4-pyridyl-propane mol-ecules and two O atoms from two coordinated water mol-ecules, leading to a distorted MnN(4)O(2) octa-hedral geometry. Each 1,3-di-4-pyridyl-propane ligand displays a monodentate coordinating mode. In the crystal, there exist O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds. The perchlorate anions and the coordinated and lattice water mol-ecules play an important role in the formation of these hydrogen bonds. One of the two lattice water molecules shows half-occupancy.

catena-Poly[diaqua-(cis-cyclo-hexane-1,2-dicarboxyl-ato)cadmium].

In the title polymer, [Cd(C(8)H(10)O(4))(H(2)O)(2)](n), the Cd(II) cation is coordinated by five carboxyl-ate O atoms from three different cyclo-hexane-1,2-dicarboxyl-ate anions and two O atoms from two water mol-ecules, displaying a distorted CdO(7) pentagonal-bipyramidal geometry. Each anion acts as a µ(3)-bridge, linking symmetry-related Cd(II) ions into a layer parallel to (010). In the crystal, numerous O-H⋯O and C-H⋯O hydrogen bonds occur. The coordinated water mol-ecules and carboxyl-ate O atoms act as donors or acceptors in the formation of these hydrogen-bonding inter-actions.

Poly[tetra-n-butyl-ammonium [(µ(5)-benzene-1,3,5-tricarboxyl-ato)(µ(4)-benzene-1,3,5-tricarboxyl-ato)-µ(3)-hydroxido-trizincate] 0.25-hydrate].

In the asymmetric unit of title coordination polymer, {(C(16)H(36)N)[Zn(3)(C(9)H(3)O(6))(2)(OH)]·0.25H(2)O}(n), there are three independent Zn(2+) cations, two benzene-1,3,5-tricarboxyl-ate ligands and a µ(3)-bridging hydroxide group, together with a tetra-n-butyl-ammonium counter-cation and a partially occupied water molecule of solvation (occupancy 0.25). Each Zn ion is coordinated by three carboxyl-ate O atoms and one O atom from the bridging hydroxide ion, displaying a slightly distorted tetra-hedral stereochemistry [overall Zn-O range = 1.875 (3)-1.987 (2) Å]. An intra-molecular hydrogen bond involving the hydroxide H atom and a carboxyl-ate O-atom acceptor is also present in the complex unit. The bridging benzene-1,3,5-tricarboxyl-ate anions generate a three-dimensional framework structure.

Ortho-rhom-bic polymorph of 4-[(1H-benzimidazol-1-yl)meth-yl]benzoic acid.

We reported recently the first polymorph of the title compound [Kuai & Cheng (2011a ▶). Acta Cryst., E67, o2787]. A second polymorph of the title compound, C(15)H(12)N(2)O(2), was unexpectedly obtained by the hydro-thermal reaction of the title compound with manganese chloride in the presence of potassium hydroxide at 413 K. The benzimidazole ring system is almost planar, with a maximum deviation from the mean plane of 0.015 (2) Å. The benzimidazole and benzene rings are inclined at a dihedral angle of 79.00 (1)°. In the crystal, adjacent mol-ecules are connected through O-H⋯N hydrogen bonds into a one-dimensional chain along the [001] direction.