scholarly journals [Oxybis(ethane-1,2-diyl)]bis(dimethylammonium) octamolybdate dihydrate

IUCrData ◽  
2019 ◽  
Vol 4 (11) ◽  
Author(s):  
David M. Ermert ◽  
Milan Gembicky ◽  
Arnold L. Rheingold
Keyword(s):  
Hydrogen Bonds ◽  
Ethyl Ether ◽  
Three Dimensional ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
Compound C ◽  
Dimensional Network ◽  
Anionic Cluster ◽  
Solvothermal Conditions

The title compound, (C8H22N2O)2[Mo8O26]·H2O, (cis-H2 L)2[β-Mo8O26]·H2O, where L = (bis[2-N,N-dimethylamino)ethyl] ether), was synthesized from bis[2-(dimethylamino)ethyl] ether and MoO3 under solvothermal conditions and characterized by multinuclear NMR and single-crystal X-ray diffraction techniques. The structure displays two [oxybis(ethane-1,2-diyl)]bis(dimethylammonium), or [cis-H2 L]2+, cations, a central [β-Mo8O26]4− anionic cluster consisting of eight distorted MoO6 octahedra, and two water molecules in their deuterated form. The central anion lies across an inversion center. The [cis-H2 L]2+ cations are hydrogen bonded to the central [β-Mo8O26]4− cluster via bridging water molecules. In the crystal, O—H...O hydrogen bonds link the components into chains along [010]. Weak C—H...O hydrogen bonds link these chains into a three-dimensional network.

Synthesis and crystal structures of a 3-acetylated (20S,24S)-ocotillol-type saponin and its C-24 epimer

2017 ◽  
Vol 73 (6) ◽  
pp. 464-469 ◽  
Author(s):  
Juan Liu ◽  
Yang-Rong Xu ◽  
Xing-Si An ◽  
Gui-Ge Hou ◽  
Qing-Guo Meng
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Dimensional Network ◽  
Crystal Packings ◽  
C Nmr

In order to study the in vivo protective effect on myocardial ischemia, (20S,24R)-epoxydammarane-12β,25-diol, (V), and (20S,24S)-epoxydammarane-12β,25-diol, (VI), were synthesized through a novel synthetic route. Two key intermediates, namely (20S,24R)-3-acetyl-20,24-epoxydammarane-3β,12β,25-triol, (III) [obtained as the hemihydrate, C32H54O5·0.5H2O, (IIIa), and the ethanol hemisolvate, C32H54O5·0.5C2H5OH, (IIIb), with identical conformations but different crystal packings], and (20S,24S)-3-acetyl-20,24-epoxydammarane-3β,12β,25-triol, C32H54O5, (IV), were obtained during the synthesis. The structures were confirmed by 1H NMR, 13C NMR and HRMS analyses, and single-crystal X-ray diffraction. Molecules of (IIIa) are extended into a two-dimensional network constructed with water molecules linked alternately through intermolecular O—H...O hydrogen bonds, which are further stacked into a three-dimensional network. Compound (IIIb) contains two completely asymmetric molecules, which are linked in a disordered manner through intermolecular C—H...O hydrogen bonds. While the crystal stacks in compound (IV) are linked via weak C—H...O hydrogen bonds, the hydrogen-bonded chains extend helically along the crystallographic b axis.

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 2-Thioureido-1H-benzimidazol-3-ium chloride monohydrate

2014 ◽  
Vol 70 (5) ◽  
pp. o553-o553
Author(s):  
C. N. Sundaresan ◽  
Dheeraj Kumar Singh ◽  
Jagadeesh Babu Nanubolu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Water Molecules ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
The Mean ◽  
Chloride Monohydrate

In the title compound, C8H9N4S+·Cl−·H2O, the cation is approximately planar, with a dihedral angle of 7.71 (8)° between the mean planes of the benzoimidazole ring system and the thiourea unit. In the crystal, cations, anions and water molecules of crystallization are linked by O—H...Cl, N—H...O, N—H...Cl and N—H...S hydrogen bonds into a three-dimensional network. π–π stacking is observed between the benzene and imidazole rings of neighbouring molecules, the centroid–centroid distance being 3.5774 (11) Å.

Synthesis, structure and selective luminescence sensing for iron(III) ions of a three-dimensional zinc(II) (4,6)-connected coordination network

2019 ◽  
Vol 75 (2) ◽  
pp. 141-149 ◽  
Author(s):  
Feng Su ◽  
Cheng-Yong Zhou ◽  
Lin-Tao Wu ◽  
Xi Wu ◽  
Chun Han ◽  
...  
Keyword(s):  
Three Dimensional ◽  
Electronic Configuration ◽  
Organic Ligands ◽  
Tetracarboxylic Acid ◽  
X Ray Diffraction ◽  
X Ray ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Solvent Stability ◽  
Solvothermal Conditions

Coordination polymers constructed from conjugated organic ligands and metal ions with a d 10 electronic configuration exhibit intriguing properties for chemical sensing and photochemistry. A ZnII-based coordination polymer, namely poly[aqua(μ6-biphenyl-3,3′,5,5′-tetracarboxylato)(μ2-4,4′-bipyridine)dizinc(II)], [Zn2(C16H6O8)(C10H8N2)(H2O)2] n or [Zn2(m,m-bpta)(4,4′-bipy)(H2O)2] n , was synthesized from a mixture of biphenyl-3,3′,5,5′-tetracarboxylic acid [H4(m,m-bpta)], 4,4′-bipyridine (4,4′-bipy) and Zn(NO3)2·6H2O under solvothermal conditions. The title complex has been structurally characterized by IR spectroscopy, elemental analysis, single-crystal X-ray diffraction and powder X-ray diffraction analysis, and features a μ6-coordination mode. The ZnII ions adopt square-pyramidal geometries and are bridged by two syn–syn carboxylate groups to form [Zn2(COO)2] secondary buildding units (SBUs). The SBUs are crosslinked by (m,m-bpta)4− ligands to produce a two-dimensional grid-like layer that exhibits a stair-like structure along the a axis. Adjacent layers are linked by 4,4′-bipy ligands to form a three-dimensional network with a {44.610.8}{44.62} topology. In the solid state, the complex displays a strong photoluminescence and an excellent solvent stability. In addition, the luminescence sensing results indicate a highly selective and sensitive sensing for Fe3+ ions.

A novel dinuclear bismuth(III) coordination compound: bis(μ-pyridine-2,6-dicarboxylato)-κ4O2,N,O6:O6′;κ4O2:O2′,N,O6-bis[(azido-κN)(1,10-phenanthroline-κ2N,N′)bismuth(III)] tetrahydrate

2014 ◽  
Vol 70 (6) ◽  
pp. 562-565 ◽  
Author(s):  
Wei Zhang ◽  
Yu-Quan Feng
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Coordination Compound ◽  
Photoelectron Spectroscopy ◽  
Three Dimensional ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
X Ray Diffraction ◽  
X Ray

A novel dinuclear bismuth(III) coordination compound, [Bi2(C7H3NO4)2(N3)2(C12H8N2)2]·4H2O, has been synthesized by an ionothermal method and characterized by elemental analysis, energy-dispersive X-ray spectroscopy, IR, X-ray photoelectron spectroscopy and single-crystal X-ray diffraction. The molecular structure consists of one centrosymmetric dinuclear neutral fragment and four water molecules. Within the dinuclear fragment, each BiIIIcentre is seven-coordinated by three O atoms and four N atoms. The coordination geometry of each BiIIIatom is distorted pentagonal–bipyramidal (BiO3N4), with one azide N atom and one bridging carboxylate O atom located in axial positions. The carboxylate O atoms and water molecules are assembledviaO—H...O hydrogen bonds, resulting in the formation of a three-dimensional supramolecular structure. Two types of π–π stacking interactions are found, with centroid-to-centroid distances of 3.461 (4) and 3.641 (4) Å.

Polysulfonylamine, CLXIX. Intermolekulare Wechselwirkungen in kristallinen Di(organosulfonyl)aminen. Teil 1. Di(4-brombenzolsulfonyl)amin: Zwei Konformationspolymorphe und Strukturverwandtschaft eines Polymorphs mit dem entsprechenden 2,4-Dimethylpyridinium-Salz / Polysulfonylamines, CLXIX. Intermolecular Interactions in Crystalline Di(organosulfonyl)- amines. Part 1. Di(4-bromobenzenesulfonyl)amine: Two Conformational Polymorphs and the Structural Relationship of one Polymorph to the Corresponding 2,4-Dimethylpyridinium Salt

2004 ◽  
Vol 59 (6) ◽  
pp. 661-672 ◽  
Author(s):  
Virginia Lozano ◽  
Oliver Moers ◽  
Peter G. Jones ◽  
Armand Blaschette
Keyword(s):  
Hydrogen Bonds ◽  
Mirror Symmetry ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Aromatic Rings ◽  
X Ray ◽  
Π Stacking ◽  
Dimensional Network ◽  
Weak Hydrogen Bonds ◽  
Relationship Of

Two crystal structures (polymorphs) of di(4-bromobenzenesulfonyl)amine (1), as determined by low-temperature single-crystal X-ray diffraction, are reported: Form A, monoclinic, P21/c, Z' = 1; form B: monoclinic, P21/c, Z' = 2. In A, the molecule adopts an extended conformation approximating to C2 symmetry, whereas the two independent molecules of form B display a folded hair-pin conformation with pseudo-mirror symmetry [torsion τ (C-S···S’-C’) and intercentroid distance dIC of the aromatic rings in A: 173.2° and 750.8 pm, in B: −5.4/−8.90° and 364.1/366.5 pm]. The packings of both polymorphs consist of layers, in which the molecules are connected by N-H···O hydrogen bonds in one and by Br···O interactions in the other dimension. The 1:1 onium salt (2; monoclinic, P21/n, Z' = 1) produced on N-deprotonation of 1 with 2,4-dimethylpyridine is structurally related to B. Its packing involves strands of formula units, whereby the anions retain the folded conformation (τ = 5.8°, dIC = 372.5 pm) and perfectly mimic the catemeric Br···O pattern of B, while the cations are isotactically connected to the anion backbone via an N-H(···O)2 three-centre bond. In all structures, a three-dimensional network of weak hydrogen bonds C-H···A (A = O, in 2 also N−) and C-H···Br contacts supports the controlling N-H···O and Br···O interactions; moreover, an intermolecular (π···π) stacking dimer of the type phenyl/phenyl and a (π···π) stacking trimer of the type phenyl/pyridinium/phenyl have been identified in A and 2, respectively. None of the structures exhibits very short bromine-bromine contacts suggestive of specific attractive forces.

scholarly journals Crystal structure of 9,20-dimethyl-1,8,12,19-tetraazatetracyclo[17.3.1.02,7.013,18]tricosane dihydrate from synchrotron X-ray data

2017 ◽  
Vol 73 (3) ◽  
pp. 387-389
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Molecular Conformation ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
X Ray ◽  
Radiation Data ◽  
Lattice Water ◽  
Compound C ◽  
Dimensional Network ◽  
Medium Strength

The structure of the title compound, C21H40N4·2H2O, has been determined from synchrotron X-ray radiation data. The asymmetric unit comprises one 12-membered macropolycycle and two lattice water molecules. The macropolycycle contains two cyclohexane rings and one 1,3-diazacyclohexane ring, all in chair conformations. The C—N and C—C bond lengths are in the ranges 1.4526 (16)–1.4786 (17) and 1.517 (2)–1.5414 (17) Å, respectively. One intramolecular N—H...N hydrogen bond helps to stabilize the molecular conformation while medium-strength intermolecular N—H...O, O—H...N and O—H...O hydrogen bonds involving the lattice water molecules connect the components into a three-dimensional network.

scholarly journals Crystal structure of 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data

2021 ◽  
Vol 77 (2) ◽  
pp. 213-216
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Synchrotron Radiation ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Dimensional Network

The crystal structure of the hydrated title salt, C22H48N4 4+·4Cl−·4H2O (C22H48N4 = H4 L = 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane), has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit comprises one half of the macrocyclic cation (completed by crystallographic inversion symmetry), two chloride anions and two water molecules. The macrocyclic ring of the tetracation adopts an exodentate (3,4,3,4)-D conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the macrocycle N—H groups and water O—H groups as donors, and the O atoms of the water molecules and chloride anions as acceptors, giving rise to a three-dimensional network.

scholarly journals 2,3,9,10,15,16-Hexaazatetracyclo[6.6.2.04,16.011,15]hexadecane dihydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o2545-o2545
Author(s):  
Fiona N.-F. How ◽  
Z. A. Rahima ◽  
Yee Seng Tan ◽  
S. Nadiah Abdul Halim ◽  
Seik Weng Ng
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Compound C ◽  
Dimensional Network

The four six-membered fused rings in the title compound, C10H20N6·2H2O, adopt chair conformations; the H atoms of the four secondary N atoms occupy axial positions. Hydrogen bonds of the types N—H...N, N—H...O and O—H...N link the organic and water molecules into a three-dimensional network.

scholarly journals 2,6-Dihydroxy-4-oxo-2-(pyridin-1-ium-3-yl)-4H-1,3,2-benzodioxaborinin-2-ide 0.67-hydrate

2014 ◽  
Vol 70 (4) ◽  
pp. o388-o389
Author(s):  
Blanca A. Garcia-Grajeda ◽  
Herbert Höpfl ◽  
Jorge A. Guerrero-Alvarez ◽  
José J. Campos-Gaxiola ◽  
Adriana Cruz-Enríquez
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Water Molecules ◽  
Tetrahedral Coordination ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Boronic Esters ◽  
Acid Esters

The asymmetric unit of the title compound, C12H10BNO5·0.67H2O, contains three independent pyridinylboronic acid esters adopting zwitterionic forms and two water molecules. The six-membered heterocyclic rings in the boronic esters have half-chair conformations and the deviations of the B atoms from the boronate mean planes range from 0.456 (3) to 0.657 (3) Å. All of the B atoms have tetrahedral coordination environments, with B—O and B—C bond lengths of 1.446 (4)–1.539 (3) and 1.590 (5)–1.609 (5) Å, respectively. In the crystal, the ester and water molecules are linked into a three-dimensional network by a large number of O—H...O, N—H...O and C—H...O hydrogen bonds. The crystal packing is further accomplished by π–π interactions, with centroid–centroid distances of 3.621 (4)–3.787 (4) Å.

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