scholarly journals catena-Poly[bis(1,3-benzothiazol-3-ium) [[dichloridoantimonate(III)]-di-μ-chlorido-μ-oxido-[chloridoantimonate(III)]-μ-chlorido]]

2016 ◽  
Vol 72 (2) ◽  
pp. 212-214
Author(s):  
Oussama Chebout ◽  
Mhamed Boudraa ◽  
Sofiane Bouacida ◽  
Hocine Merazig ◽  
Chaouki Boudaren
Keyword(s):  
Crystal Packing ◽  
Three Dimensional ◽  
Organic Cations ◽  
Ionic Structure ◽  
Compound C ◽  
Dimensional Network ◽  
Inorganic Cation ◽  
Distorted Octahedral ◽  
Common Face ◽  
Cl Atoms

The title compound, {(C7H6NS)2[Sb2Cl6O]}n, contains two benzothiazolidium cations and one tri-μ-chlorido-trichlorido-μ-oxido-diantimonate(III) anion. The structure of the inorganic cation may be described as as being built up from two polyhedra,i.e.a square-pyramidal SbCl4O and a distorted octahedral SbOCl5unit, sharing a common face (comprising the O atom and two Cl atoms). The two benzothiazole cations are quasi-planar and subtend a dihedral angle of 19.93 (5)°. The crystal packing can be described by alternating (100) layers and [001] chains of the organic cations and inorganic anions connected through an extensive three-dimensional network of N—H...Cl, C—H...O and C—H...Cl hydrogen bonds. This is consolidated by slipped π–π stacking, with centroid-to-centroid distances between the benzothiazole rings of 3.7111 (18)–3.8452 (16) Å. These interactions link the molecules within the layers and also link the layers together and reinforce the cohesion of the ionic structure.

scholarly journals Crystal structure of tris(trans-1,2-cyclohexanediamine-κ2N,N′)chromium(III) tetrachloridozincate chloride trihydrate from synchrotron data

2016 ◽  
Vol 72 (5) ◽  
pp. 671-674 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Packing ◽  
Three Dimensional ◽  
Water Molecules ◽  
Coordination Environment ◽  
Bite Angle ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
The Mean ◽  
Cl Atoms ◽  
Distorted Octahedral Coordination Environment

The structure of the title double salt, [Cr(rac-chxn)3][ZnCl4]Cl·3H2O (chxn istrans-1,2-cyclohexanediamine; C6H14N2), has been determined from synchrotron data. The CrIIIion is coordinated by six N atoms of three chelating chxn ligands, displaying a slightly distorted octahedral coordination environment. The distorted tetrahedral [ZnCl4]2−anion, the isolated Cl−anion and three lattice water molecules remain outside the coordination sphere. The Cr—N(chxn) bond lengths are in a narrow range between 2.0737 (12) and 2.0928 (12) Å; the mean N—Cr—N bite angle is 82.1 (4)°. The crystal packing is stabilized by hydrogen-bonding interactions between the amino groups of the chxn ligands and the water molecules as donor groups, and O atoms of the water molecules, chloride anions and Cl atoms of the [ZnCl4]2−anions as acceptor groups, leading to the formation of a three-dimensional network. The [ZnCl4]2−anion is disordered over two sets of sites with an occupancy ratio of 0.94:0.06.

scholarly journals Crystal structure of bis[bis(1,4,7-triazacyclononane-κ3 N,N′,N′′)chromium(III)] tris(tetrachloridozincate) monohydrate from synchrotron X-ray data

2019 ◽  
Vol 75 (4) ◽  
pp. 428-431 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Packing ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
The Mean ◽  
Cl Atoms

The structure of the title compound, [Cr(tacn)2]2[ZnCl4]3·H2O (tacn is 1,4,7-triazacyclononane; C6H15N3), has been determined from synchrotron X-ray data. Each CrIII cation is coordinated by the six N atoms from the two tacn ligands, displaying a distorted octahedral geometry. Three distorted tetrahedral [ZnCl4]2− anions and one lattice water molecule lie outside this coordination sphere. The Cr—N bond lengths are in the range 2.0621 (11) to 2.0851 (12) Å, while the mean inner N—Cr—N bond angle is 82.51 (5)°. The crystal packing is stabilized by hydrogen-bonding interactions with the N—H groups of the tacn ligands and the water O—H groups acting as donors, and the O atoms of the water molecules and Cl atoms of the [ZnCl4]2− anions as acceptors. Overall these contacts lead to the formation of a three-dimensional network.

scholarly journals 1-(4-Hydroxyphenyl)piperazine-1,4-diium tetrachloridocobalt(II) monohydrate

2014 ◽  
Vol 70 (2) ◽  
pp. m75-m75 ◽  
Author(s):  
Marwa Mghandef ◽  
Habib Boughzala
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Organic Cations ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hybrid Compound ◽  
Organic Hybrid ◽  
Compound C ◽  
Dimensional Network

The asymmetric unit of the title inorganic–organic hybrid compound, (C10H16N2O)[CoCl4]·H2O, consists of a tetrahedral [CoCl4]2−anion, together with a [C10H18N2O]2+cation and a water molecule. Crystal cohesion is achieved through N—H...Cl, O—H...Cl and N—H...O hydrogen bonds between organic cations, inorganic anions and the water molecules, building up a three-dimensional network.

scholarly journals Two polymorphs of 1,8-dichloroanthracene

2013 ◽  
Vol 69 (2) ◽  
pp. 199-203 ◽  
Author(s):  
Peter Müller ◽  
Frank R. Fronczek ◽  
Stacey J. Smith ◽  
Teresa Mako ◽  
Mindy Levine
Keyword(s):  
Low Temperature ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Crystal Form ◽  
Temperature Structure ◽  
Orthorhombic Crystal ◽  
Acta Cryst ◽  
Monoclinic Form ◽  
Compound C ◽  
Dimensional Network

A second, monoclinic, polymorph of the title compound, C14H8Cl2, has been found. In addition to the structure of this monoclinic form, the structure of the previously described orthorhombic form [Desvergne, Chekpo & Bouas-Laurent (1978).J. Chem. Soc. Perkin Trans. 2, pp. 84–87; Benites, Maverick & Fronczek (1996).Acta Cryst.C52, 647–648] has been redetermined at low temperature and using modern methods. The low-temperature structure of the orthorhombic form is of significantly higher quality than the previously published structure and additional details can be derived. A comparison of the crystal packing of the two forms with a focus on weak intermolecular C—H...Cl interactions shows the monoclinic structure to have one such interaction linking the molecules into infinite ribbons, while two crystallographically independent C—H...Cl interactions give rise to an interesting infinite three-dimensional network in the orthorhombic crystal form.

Methyl (2S)-2-[2-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]propionate monohydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o1745-o1746
Author(s):  
Ping Yin ◽  
Mao-Lin Hu ◽  
Jing Xiong ◽  
Xiao-Qing Cai
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network

In the title compound, C10H12FN3O5·H2O, the crystal packing is stabilized by an extensive three-dimensional network of intermolecular O—H...O and N—H...O hydrogen bonds.

scholarly journals Crystal structure of 4-(6-bromo-4-oxo-4H-chromen-3-yl)-2-methylamino-3-nitropyrano[3,2-c]chromen-5(4H)-one chloroform monosolvate

2015 ◽  
Vol 71 (9) ◽  
pp. o648-o649
Author(s):  
Rajamani Raja ◽  
Subramani Kandhasamy ◽  
Paramasivam T. Perumal ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Ring System ◽  
Pyran Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Fused Ring ◽  
Cl Atoms ◽  
Fused Ring System

In the title compound, C22H13BrN2O7·CHCl3, the pyran ring adopts a shallow sofa conformation with the C atom bearing the bromochromene system as the flap [deviation = 0.291 (3) Å]. The dihedral angle between the pyran fused-ring system (all atoms; r.m.s. deviation = 0.032 Å) and the bromochromene ring system (r.m.s. deviation = 0.027 Å) is 87.56 (9)°. An intramolecular N—H...O hydrogen bond closes anS(6) ring. The Cl atoms of the solvent molecule are disordered over two sets of sites in a 0.515 (6):0.485 (6) ratio. In the crystal, inversion dimers linked by pairs of N—H...O hydrogen bonds generateR22(12) loops. The packing also features C—H...O and very weak π–π [centroid–centroid separation = 3.960 (2) Å] interactions, which link the dimers into a three-dimensional network.

scholarly journals Crystal structure and Hirshfeld analysis of trans-bis(5-fluoroindoline-2,3-dione 3-oximato-κ2 O 2,N 3)-trans-bis(pyridine-κN)copper(II)

2018 ◽  
Vol 74 (4) ◽  
pp. 428-432
Author(s):  
Ana Paula Lopes de Melo ◽  
Leandro Bresolin ◽  
Bianca Barreto Martins ◽  
Vanessa Carratu Gervini ◽  
Adriano Bof de Oliveira
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Molar Ratio ◽  
Pyridine Ligands ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Hirshfeld Analysis ◽  
Isatin Derivatives

The reaction in methanol of CuII acetate monohydrate with 5-fluoroisatin 3-oxime deprotonated with KOH in a 1:2 molar ratio and recrystallization from pyridine yielded the title compound, [Cu(C8H4FN2O2)2(C5H5N)2]. In the centrosymmetric complex, the anionic form of the isatin oxime acts as a κ2 N,O donor, building five-membered metallarings. The CuII cation is sixfold coordinated in a slightly distorted octahedral environment by two trans, equatorial, anionic isatin derivatives and two trans pyridine ligands in axial positions. The complexes are linked by hydrogen bonding into a three-dimensional network, which is also stabilized by π–π stacking interactions [centroid-to-centroid distance = 3.7352 (9) Å] and C—H...π contacts. The Hirshfeld surface analysis indicates that the major contributions for the crystal packing are H...H (31.80%), H...C (24.30%), H...O (15.20%) and H...F (10.80%). This work is the second report in the literature of a crystal structure of a coordination compound with isatin 3-oxime ligands (coordination chemistry).

A new three-dimensional CdIIsupramolecular framework constructed from the 1-[(1H-tetrazol-5-yl)methyl]-1,4-diazoniabicyclo[2.2.2]octane ligand

2015 ◽  
Vol 71 (2) ◽  
pp. 93-96 ◽  
Author(s):  
Qiang Li ◽  
Hui-Ting Wang ◽  
Lin Zhou
Keyword(s):  
Crystal Packing ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Cl Atoms

A new tetrazole–metal supramolecular compound, di-μ-chlorido-bis(trichlorido{1-[(1H-tetrazol-5-yl-κN2)methyl]-1,4-diazoniabicyclo[2.2.2]octane}cadmium(II)), [Cd2(C8H16N6)2Cl8], has been synthesized and structurally characterized by single-crystal X-ray diffraction. In the structure, each CdIIcation is coordinated by five Cl atoms (two bridging and three terminal) and by one N atom from the 1-[(1H-tetrazol-5-yl)methyl]-1,4-diazoniabicyclo[2.2.2]octane ligand, adopting a slightly distorted octahedral coordination geometry. The bridging bicyclo[2.2.2]octane and chloride ligands link the CdIIcations into one-dimensional ribbon-like N—H...Cl hydrogen-bonded chains along thebaxis. An extensive hydrogen-bonding network formed by N—H...Cl and C—H...Cl hydrogen bonds, and interchain π–π stacking interactions between adjacent tetrazole rings, consolidate the crystal packing, linking the poymeric chains into a three-dimensional supramolecular network.

scholarly journals Diethyl 4-(biphenyl-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

2014 ◽  
Vol 70 (7) ◽  
pp. o791-o792 ◽  
Author(s):  
Scott A. Steiger ◽  
Anthony J. Monacelli ◽  
Chun Li ◽  
Janet L. Hunting ◽  
Nicholas R. Natale
Keyword(s):  
Hydrogen Bonds ◽  
Intermolecular Interaction ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings ◽  
Dihydropyridine Ring

The title compound, C25H27NO4, has a flattened dihydropyridine ring. The benzene and phenyl rings are synclinal to one another, forming a dihedral angle of 49.82 (8)°; the axis of the biphenyl rings makes an 81.05 (9)° angle to the plane of the dihydropyridine ring. In the crystal, N—H...O hydrogen bonds link the molecules into chain motifs running along thea-axis direction. The chains are cross-linked by C—H...O interactions, forming sheet motifs running slightly off the (110) plane, together with an intermolecular interaction between head-to tail biphenyl groups, thus making the whole crystal packing a three-dimensional network. Intramolecular C—H...O hydrogen bonds are also observed.

scholarly journals 2,6-Bis(1H-benzimidazol-2-yl)pyridine butyric acid monosolvate dihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. o1820-o1820 ◽  
Author(s):  
Songzhu Lin ◽  
Ruokun Jia ◽  
Aimin He
Keyword(s):  
Hydrogen Bonds ◽  
Butyric Acid ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Molecular Skeleton

In the title compound, C19H13N5·C4H8O2·2H2O, the molecular skeleton of the 2,6-bis(benzimidazol-2-yl)pyridine (bbip) molecule is essentially planar (r.m.s. deviation = 0.023 Å). An extensive three-dimensional network of intermolecular N—H...O, O—H...O and O—H...N hydrogen bonds consolidates the crystal packing, which also exhibits π–π interactions between the five- and six-membered rings from neighbouring bbip molecules.

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