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Chloridobis(1,2,3,4-tetra-hydro-1,4,6,11-tetra-aza-naphthacene-?N)copper(I).

ABSTRACT: In the title complex, [CuCl(C(14)H(12)N(4))(2)], the Cu(I) atom, lying on a twofold rotation axis, is coordinated by two N atoms of two 1,2,3,4-tetra-hydro-1,4,6,11-tetra-aza-naphthacene ligands and one Cl atom, also lying on the twofold rotation axis, in a distorted trigonal-planar geometry. The complex mol-ecules are connected into a one-dimensional structure along [001] via N-H?N hydrogen bonds and further into a three-dimensional structure via N-H?Cl hydrogen bonds. ?-? inter-actions between the pyrazine and benzene rings and between the benzene rings [centroid-centroid distances = 3.5635?(15) and 3.9128?(16)?Å] are present.

PROVIDER: S-EPMC3297250 | BioStudies | 2012-01-01T00:00:00Z

REPOSITORIES: biostudies

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Crystal structure of catena-poly[1,3-di-benzyl-benzimidazolium [[chlorido-mercurate(II)]-di-?-chlorido]].

Project description:The asymmetric unit of the polymeric title compound, {(C21H19N2)[HgCl3]} n , comprises one-half of the cationic mol-ecule, the other half being generated by application of twofold rotation symmetry, one Hg and two Cl atoms. The Hg(II) atom, lying on a twofold rotation axis, exhibits a distorted triangular coordination environment and is surrounded by three Cl atoms with Hg-Cl distances in the range 2.359?(2)-2.4754?(13)?Å. Two additional longer distances [Hg?Cl = 3.104?(14)?Å] lead to the formation of polymeric [HgCl1/1Cl4/2](-) chains extending along [001]. The crystal packing can be described by cationic layers alternating parallel to (-110) with the anionic chains located between the layers. The packing is consolidated by ?-? stacking inter-actions between the benzene rings of the central benzimidazole entities, with centroid-to-centroid distances of 3.643?(3)?Å.

| S-EPMC4719861 | BioStudies

2,9-Dimethyl-1,10-phenanthrolin-1-ium tetra-chloridoferrate(III) methanol monosolvate.

Project description:In the title compound, (C??H??N?)[FeCl?]·CH?OH, the 2,9-dimethyl-1,10-phenanthrolin-1-ium cation, FeCl? ? anion and methanol solvent mol-ecule lie on a twofold rotation axis. Due to symmetry, the H atom on the N atom of the cation is half-occupied. In the anion, the Fe(III) atom has a tetra-hedral geometry. H atoms of the methanol mol-ecule are disordered over two sets of sites around the twofold axis. In the crystal, ?-? contacts between the pyridine rings and between the pyridine and benzene rings [centroid-centroid distances = 3.6535?(16) and 3.5522?(17)?Å] and inter-molecular O-H?N and N-H?O hydrogen bonds stabilize the structure.

2012-01-01 | S-EPMC3393176 | BioStudies

Bis(2,4-dichloro-phen-oxy-acetato-?O,O)(5,5'-dimethyl-2,2'-bipyridine-?N,N')cobalt(II).

Project description:In the title compound, [Co(C(8)H(5)Cl(2)O(3))(C(12)H(12)N(2))], the Co(II) atom, lying on a twofold rotation axis, is coordinated by four O atoms from two chelating 2,4-dichloro-phen-oxy-acetate ligands and two N atoms from a 5,5'-dimethyl-2,2'-bipyridine ligand, displaying a distorted octa-hedral geometry. A three-dimensional supra-molecular structure is formed through inter-molecular C-H?O hydrogen bonds and ?-? stacking inter-actions between the pyridine and benzene rings [centroid-centroid distance = 3.779?(2)?Å].

| S-EPMC3099758 | BioStudies

Bis(2-amino-1,3-benzothia-zol-3-ium) tetra-chloridozincate(II).

Project description:The asymmetric unit of the title compound, (C(7)H(7)N(2)S)(2)[ZnCl(4)], contains a network of 2-amino-benzothia-zolium cations and tetra-hedral [ZnCl(4)](2-) anions. The crystal packing is influenced by cation-to-anion N-H?Cl and C-H?Cl hydrogen bonds. The [ZnCl(4)](2-) anions have a distorded tetra-hedral geometry. Inter-molecular ?-? stacking inter-actions are present between neighboring benzene rings, thia-zole and benzene rings and neighboring thia-zole rings [centroid-centroid distances = 3.711?(2), 3.554?(1), 3.536?(2) and 3.572?(1)?Å].

| S-EPMC3120423 | BioStudies

1,3-Bis(4-bromo-phen-yl)imidazolium chloride dihydrate.

Project description:In the title hydrated salt, C(15)H(11)Br(2)N(2) (+)·Cl(-)·2H(2)O, the complete imidazolium cation is generated by a crystallographic twofold axis, with one C atom lying on the axis. The chloride ion and both water mol-ecules of crystallization also lie on a crystallographic twofold axis of symmetry. The cation is non-planar, the dihedral angle formed between the central imidazolium and benzene rings being 12.9?(3)°; the dihedral angle between the symmetry-related benzene rings is 25.60?(13)°. In the crystal, O-H?Cl hydrogen bonds result in supra-molecular chains along c mediated by eight-membered {?HOH?Cl}(2) synthons. These are consolidated by C-H?O and ?-? [centroid-centroid distance = 3.687?(3)?Å] inter-actions.

2010-01-01 | S-EPMC2979370 | BioStudies

Crystal structures of two stilbazole derivatives: bis-{(E)-4-[4-(di-ethyl-amino)-styr-yl]-1-methyl-pyridin-1-ium} tetra-iodido-cadmium(II) and (E)-4-[4-(di-ethyl-amino)-styr-yl]-1-methyl-pyridin-1-ium 4-meth-oxy-benzene-sulfonate monohydrate.

Project description:The title mol-ecular salts, (C18H23N2)2[CdI4], (I), and C18H23N2 +·C7H7O4S-·H2O, (II), are stilbazole, or 4-styryl-pyridine, derivatives. The cation, (E)-4-[4-(di-ethyl-amino)-styr-yl]-1-methyl-pyridin-1-ium, has a methyl group attached to pyridine ring and a diethyl amine group attached to the benzene ring. The asymmetric unit of salt (I), comprises one cationic mol-ecule and half a CdI4 dianion. The Cd atom is situated on a twofold rotation axis and has a slightly distorted tetra-hedral coordination sphere. In (II), the anion consists of a 4-meth-oxy-benzene-sulfonate and it crystallizes as a monohydrate. In both salts, the cations adopt an E configuration with respect to the C=C bond and the pyridine and benzene rings are inclined to each other by 10.7 (4)° in (I) and 4.6 (2)° in (II). In the crystals of both salts, the packing is consolidated by offset π-π stacking inter-actions involving the pyridinium and benzene rings, with centroid-centroid distances of 3.627 (4) Å in (I) and 3.614 (3) Å in (II). In the crystal of (II), a pair of 4-meth-oxy-benzene-sulfonate anions are bridged by Owater-H⋯Osulfonate hydrogen bonds, forming loops with an R 2 4(8) motif. These four-membered units are then linked to the cations by a number of C-H⋯O hydrogen bonds, forming slabs lying parallel to the ab plane.

| S-EPMC6281098 | BioStudies

1,2,4,5-Tetra-fluoro-3,6-diiodo-benzene-4-(pyridin-4-ylsulfan-yl)pyridine (1/1).

Project description:The asymmetric unit of the title 1:1 adduct, C(10)H(8)N(2)S·C(6)F(4)I(2), comprises a half-mol-ecule of 1,2,4,5-tetra-fluoro-3,6-diiodo-benzene, and half a 4-(pyridin-4-ylsulfan-yl)pyridine mol-ecule. The former is completed by crystallographic inversion symmetry, the latter by twofold symmetry, with the S atom lying on the rotation axis. The almost planar 1,2,4,5-tetra-fluoro-3,6-diiodo-benzene mol-ecule (r.m.s. deviation of all 12 atoms = 0.016?Å) and twisted 4-(pyridin-4-ylsulfan-yl)pyridine mol-ecule [dihedral angle between pyridyl rings = 54.88?(13)°] are connected by N?I inter-actions [2.838?(4)?Å], generating a supra-molecular chain with a step-ladder topology. These chains are connected in the crystal by C-H?F and C-H??(pyrid-yl) inter-actions.

| S-EPMC2983392 | BioStudies

Chlorido[1-phenyl-3-(2,3,5,6-tetra-methyl-benz-yl)benzimidazol-2-yl-idene]silver(I).

Project description:In the title compound, [AgCl(C(24)H(24)N(2))], the terminal phenyl and tetra-methyl-benzene rings [which form a dihedral angle of 87.92?(14)°] make dihedral angles of 59.59?(11) and 83.19?(12)° with respect to the central benzimidazole ring system. The Ag-C and Ag-Cl single-bond lengths are 2.087?(3) and 2.3267?(9)?Å. The C-Ag-Cl bond angle is 172.84?(7)°. C-H?? inter-actions contribute to the stabilization of the crystal structure. A very weak ?-? stacking inter-action between adjacent tetra-methyl-benzene rings [centroid-centroid distance = 4.0610?(18)?Å] is also observed.

| S-EPMC3344334 | BioStudies

N,N'-Bis-(2,4-dichloro-benzyl-idene)-2,2-dimethyl-propane-1,3-diamine.

Project description:The mol-ecule of the title Schiff base compound, C(19)H(18)Cl(4)N(2), has crystallographic twofold rotation symmetry, with one C atom lying on the rotation axis. The dihedral angle between the two symmetry-related benzene rings is 84.70?(2)°. The plane of the -C=N-C- group is twisted away from the benzene ring by 7.5?(1)°. In the crystal structure, weak inter-molecular Cl?Cl [3.4851?(3)?Å] contacts link neighbouring mol-ecules into a two-dimensional network parallel to the bc plane.

2008-01-01 | S-EPMC2959888 | BioStudies

Crystal structure of 1,13,14-tri-aza-dibenz[a,j]anthracene 1,1,2,2-tetra-chloro-ethane monosolvate.

Project description:The asymmetric unit of the title compound, C19H11N3·C2H2Cl4, consists of one half-mol-ecule of 1,13,14-tri-aza-dibenz[a,j]anthracene (dibenzo[c,h]-1.9,10-anthyridine, dbanth) and one half of 1,1,2,2-tetra-chloro-ethane (TCE), both of which are located on a crystallographic twofold rotation axis. The dihedral angle between the planes of the terminal benzene rings in dbanth is 3.59?(7)° owing to the steric repulsion between the H atoms in the two benzo groups and the H atom in the central pyridine ring of the anthridine skeleton. In the crystal, ?-? inter-actions between pyridine rings [centroid-centroid distances = 3.568?(2) and 3.594?(2)?Å] link the dbanth mol-ecules to form a one-dimensional columnar structure along the c axis. The dbanth and TCE mol-ecules are connected through weak bifurcated C-H?(N,N) hydrogen bonds.

| S-EPMC4459339 | BioStudies

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