Crystal structure of the tetra-gonal polymorph of bis-(1-ethyl-3-methyl-imidazolium) tetra-bromido-cadmate.
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ABSTRACT: Both unique Cd atoms in the tetra-gonal polymorph of bis-(1-ethyl-3-methyl-imidazolium) tetra-bromido-cadmate, (C6H11N2)2[CdBr4], occupy special positions (site symmetry -4). The crystal structure consists of isolated tetra-hedral [CdBr4](2-) anions which are surrounded by 1-ethyl-3-methyl-imidazolium cations. The methyl and ethyl side chains of the cations show positional disorder in a 0.590 (11):0.410 (11) ratio. In the crystal, (C6H11N2)(+) cations display three weak C-H⋯Br hydrogen-bond inter-actions through the imidazolium ring H atoms with the Br(-) ligands of the surrounding complex anions. The alkyl groups of the side chains are not involved in hydrogen bonding.
Project description:In the anion of the title compound, (C(14)H(13)N(2)S)(2)[CdBr(4)]·C(2)H(5)OH, the Cd(II) atom is in a distorted tetra-hedral environment and one of the Br atoms is disordered over three sites with site-occupancy factors of 0.828?(5), 0.106?(3) and 0.068?(4). In the crystal, inter-molecular N-H?O, C-H?O and N-H?Br inter-actions result in a two-dimensional polymeric network extending parallel to (010).
Project description:The title compound, [Fe(C(9)H(10)BN(6))(2)], is a polymorph of a compound reported previously [Oliver et al. (1980 ?). Inorg. Chem.19, 165-168]. In the previous report, the compound crystallized in the monoclinic space group P2(1)/c (Z = 4), whereas the crystal symmetry of the compound reported here is tetra-gonal (P4(2)/ncm, Z = 4). The mol-ecular structure is comprised of two hydro-tris-(1-pyrazol-yl)borate ligands (Tp(-)) and a central Fe(II) ion, which is coordinated by six pyrazole N atoms from two two Tp(-) ligands, yielding a distorted bipyramidal FeN(6) geometry. The complete molecule exhibits symmetry 2/m.
Project description:The tetra-gonal polymorph of 5,5-dichloro-barbituric acid (m.p. 478?K), C(4)H(2)Cl(2)N(2)O(3), forms an N-H?O hydrogen-bonded tape structure along [001]. Two tapes related by a twofold rotation axis are associated via Cl?O contacts [3.201?(1)?Å], and four such chain pairs are arranged around a fourfold roto-inversion axis. The crystal structures of the monoclinic and ortho-rhom-bic polymorphs have been reported previously [Gelbrich et al. (2011 ?). CrystEngComm, 13, 5502-5509].
Project description:The structure of the title salt, (C(6)H(8)N)(2)[CuCl(3.4)Br(0.6)], consists of two 3-methyl-pyridinium cations and a distorted tetra-hedral [CuCl(3.4)Br(0.6)](2-) dianion. Substitutional disorder with Br is exhibited for three of the Cl atoms of the anion, giving a mixed chloride/bromide cuprate(II) anion. In the crystal, inter-molecular N-H?Cl hydrogen bonds link two cations to one anion, forming a three-ion aggregate. These are connected into a supra-molecular chain along the b axis via ?-? inter-actions between the pyridinium rings [centroid-centroid distance = 3.743?(3)?Å].
Project description:The crystal structure of the title compound, [NH(3)(CH(2))(2)NH(3)][Cd(SO(4))(2)(H(2)O)(4)], consists of [Cd(SO(4))(2)(H(2)O)(4)](2-) anions that are built from octa-hedral Cd(H(2)O)(4)O(2) and SO(4) tetra-hedral units linked by corner sharing. The ethyl-ene-diamminium cations are linked to the anions via N-H⋯O hydrogen bonds. The asymmetric unit contains one-half of the compound, the other half being related to the first by an inversion centre. The crystal structure presents alternate stacking of the inorganic and organic layers along the crystallographic b axis. The structure cohesion and stability is further assured by O(water)-H⋯O hydrogen bonds.
Project description:In the crystal structure of the title compound, (C(6)H(9)N(2))(2)[CuBr(4)], the geometry around the Cu atom is inter-mediate between tetra-hedral (T(d)) and square planar (D(4h)). Each [CuBr(4)](2-) anion is connected non-symmetrically to four surrounding cations through N-H⋯X (pyridine and amine proton) hydrogen bonds, forming chains of the ladder-type running parallel to the crystallographic b axis. These layers are further connected by means of offset face-to-face inter-actions (parallel to the a axis), giving a three-dimensional network. Cation π-π stacking [centroid separations of 3.69 (9) and 3.71 (1) Å] and Br⋯aryl inter-actions [3.72 (2) and 4.04 (6) Å] are present in the crystal structure. There are no inter-molecular Br⋯Br inter-actions.
Project description:In the title compound, (C(4)H(8)N(3)O)(2)[CdCl(4)], the asymmetric unit comprises two creatininium cations and one tetra-chloridocadmate anion. Cd?O secondary bonding links one of the two imidazole rings and the anion into ion pairs. The free and bound cations form layers between which the [CdCl(4)](2-) anions are sandwiched. The Cd(II) atom adopts a distorted trigonal-bipyramidal geometry in which the Cd?O bond is axial. Inter-molecular N-H?Cl hydrogen bonds form a two-dimensional network parallel to (001) which ensures the junction between creatininium cations and [CdCl(4)](2-) anions.
Project description:The asymmetric unit of the title salt, (C10H8S8)[Re2Br6(CH3COO)]·0.5C2H3Cl3, contains one bis-(ethyl-enedi-thio)-tetra-thia-fulvalene (ET) radical cation, one μ2-acetato-bis-[tri-bromido-rhenate(III)] anion and a 1,1,2-tri-chloro-ethane mol-ecule with half-occupancy disordered about a twofold rotation axis. The tetra-thia-fulvalene fragment adopts an almost planar configuration typical of the ET radical cation. The C atoms of both ethyl-enedi-thio fragments in the cation are disordered over two orientations with occupancy factors 0.65:0.35 and 0.77:0.23. In the anion, six Br atoms and a μ2-acetate ligand form a strongly distorted cubic O2Br6 coordination polyhedron around the Re2 dinuclear centre. In the crystal, centrosymmetrically related ET cations and Re2O2Br6 anions are linked into dimers by π-π stacking inter-actions [centroid-to-centroid distance = 3.826 (8) Å] and by pairs of additional Re⋯Br contacts [3.131 (3) Å], respectively. The dimers are further packed into a three-dimensional network by non-directional inter-ionic electrostatic forces and by C-H⋯Br and C-H⋯S hydrogen bonds. The disordered 1,1,2-tri-chloro-ethane mol-ecules occupy solvent-accessible channels along the b axis.
Project description:In the title compound, 2C6H11N2 (+)·P2Se8 (2-) or [EMIM]2P2Se8 (EMIM = 1-ethyl-3-methyl-imidazolium), the anions, located about inversion centers between EMIM cations, exhibit a cyclo-hexane-like chair conformation. The cations are found in columns along the a axis, with centroid-centroid distances of 3.8399 (3) and 4.7530 (2) Å. The observed P-Se distances and Se-P-Se angles agree with other salts of this anion.
Project description:The asymmetric unit of the title compound, [Ru(2)Br(4)(C(10)H(14))(2)], contains one half of the centrosymmetric mol-ecule. Each Ru center is coordinated by tetra-methyl-benzene ring in a ?(6)-coordination mode, and one terminal and two bridging bromine atoms. The aromatic rings and the Ru(2)Br(2) four-membered ring form a dihedral angle of 55.99?(8)°. In the crystal structure, weak inter-molecular C-H?Br inter-actions link mol-ecules into chains propagated in [001].