scholarly journals Self-Organization of -Crown Ether Derivatives into Double-Columnar Arrays Controlled by Supramolecular Isomers of Hydrogen-Bonded Anionic Biimidazolate Ni Complexes

2012 ◽  
Vol 2012 ◽  
pp. 1-10
Author(s):  
Makoto Tadokoro ◽  
Kyosuke Isoda ◽  
Yasuko Tanaka ◽  
Yuko Kaneko ◽  
Syoko Yamamoto ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Crown Ether ◽  
Building Block ◽  
The Other ◽  
Optical Isomer ◽  
Self Organization ◽  
Optical Isomers ◽  
One Dimensional ◽  
Molecular Building Block ◽  
Hydrogen Bonded

Anionic tris (biimidazolate) nickelate (II) ([Ni(Hbim)3]−), which is a hydrogen-bonding (H-bonding) molecular building block, undergoes self-organization into honeycomb-sheet superstructures connected by complementary intermolecular H-bonds. The crystal obtained from the stacking of these sheets is assembled into channel frameworks, approximately 2 nm wide, that clathrate two cationic K+-crown ether derivatives organised into one-dimensional (1D) double-columnar arrays. In this study, we have shown that all five cationic guest-included crystals form nanochannel structures that clathrate the 1-D double-columnar arrays of one of the four types of K+-crown ether derivatives, one of which induces a polymorph. This is accomplished by adaptably fitting two types of anionic [Ni(Hbim)3]−host arrays. One is a network with H-bonded linkages alternating between the two different optical isomers of the and types with flexible H-bonded [Ni(Hbim)3]−. The other is a network of a racemate with 1-D H-bonded arrays of the same optical isomer for each type. Thus, [Ni(Hbim)3]−can assemble large cations such as K+crown-ether derivatives into double-columnar arrays by highly recognizing flexible H-bonding arrangements with two host networks of and .

Four salt phases of theophylline

2014 ◽  
Vol 70 (2) ◽  
pp. 220-224 ◽  
Author(s):  
Amanda R. Buist ◽  
Alan R. Kennedy ◽  
Craig Manzie
Keyword(s):  
Hydrogen Bonding ◽  
Intermolecular Interaction ◽  
The Other ◽  
Mirror Plane ◽  
Space Group ◽  
One Dimensional ◽  
Anhydrous Salt ◽  
Salt Forms ◽  
Chloride Monohydrate ◽  
Hydrogen Bonded

The structures of two anhydrous salt phases of theophylline, namely 1,3-dimethyl-2,6-dioxo-7H-purin-9-ium tetrafluoroborate, C7H9N4O2+·BF4−, and 1,3-dimethyl-2,6-dioxo-7H-purin-9-ium chloride, C7H9N4O2+·Cl−, are reported together with the structures of two monohydrate salt forms, namely 1,3-dimethyl-2,6-dioxo-7H-purin-9-ium chloride monohydrate, C7H9N4O2+·Cl−·H2O, and 1,3-dimethyl-2,6-dioxo-7H-purin-9-ium bromide monohydrate, C7H9N4O2+·Br−·H2O. The monohydrate structures are mutually isostructural, with the cations and anions lying on crystallographic mirror planes (Z′ = 1\over 2). The main intermolecular interaction motif is a hydrogen-bonding network in the same mirror plane. The tetrafluoroborate structure is based on planar hydrogen-bonded theopylline cation dimers; the anions interact with the dimers in a pendant fashion. The anhydrous chloride structure hasZ′ = 2 and in contrast to the other species it does not form planar hydrogen-bonded constructs, instead one-dimensional chains of cations and anions propagate parallel to the crystallographiccdirection. An earlier report claiming to describe an anhydrous structure of theophylline hydrochloride is re-examined in light of these results. It is concluded that the earlier structure has been reported in the wrong space group and that it has been chemically misidentified.

Concomitant polymorphs of 1,3-bis(3-fluorophenyl)urea

2016 ◽  
Vol 72 (9) ◽  
pp. 692-696 ◽  
Author(s):  
Christina A. Capacci-Daniel ◽  
Jeffery A. Bertke ◽  
Shoaleh Dehghan ◽  
Rupa Hiremath-Darji ◽  
Jennifer A. Swift
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Engineering ◽  
Structural Motif ◽  
Parallel Orientation ◽  
One Dimensional ◽  
Monoclinic Form ◽  
Engineering Studies ◽  
Hydrogen Bonded

Hydrogen bonding between urea functionalities is a common structural motif employed in crystal-engineering studies. Crystallization of 1,3-bis(3-fluorophenyl)urea, C13H10F2N2O, from many solvents yielded concomitant mixtures of at least two polymorphs. In the monoclinic form, one-dimensional chains of hydrogen-bonded urea molecules align in an antiparallel orientation, as is typical of many diphenylureas. In the orthorhombic form, one-dimensional chains of hydrogen-bonded urea molecules have a parallel orientation rarely observed in symmetrically substituted diphenylureas.

scholarly journals Two New Polyiodides in the 4,4´-Bipyridinium Diiodide/Iodine System

2012 ◽  
Vol 67 (1) ◽  
pp. 5-10
Author(s):  
Guido J. Reiss ◽  
Martin van Megen
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Complex I ◽  
The Other ◽  
Cyclic Dimer ◽  
Water Molecules ◽  
Spectroscopic Methods ◽  
Halogen Bonds ◽  
One Dimensional ◽  
Hydroiodic Acid

The reaction of bipyridine with hydroiodic acid in the presence of iodine gave two new polyiodide-containing salts best described as 4,4´-bipyridinium bis(triiodide), C10H10N2[I3]2, 1, and bis(4,4´-bipyridinium) diiodide bis(triiodide) tris(diiodine) solvate dihydrate, (C10H10N2)2I2[I3]2 · 3 I2 ·2H2O, 2. Both compounds have been structurally characterized by crystallographic and spectroscopic methods (Raman and IR). Compound 1 is composed of I3 − anions forming one-dimensional polymers connected by interionic halogen bonds. These chains run along [101] with one crystallographically independent triiodide anion aligned and the other triiodide anion perpendicular to the chain direction. There are no classical hydrogen bonds present in 1. The structure of 2 consists of a complex I144− anion, 4,4´-bipyridinium dications and hydrogen-bonded water molecules in the ratio of 1 : 2 : 2. The I144− polyiodide anion is best described as an adduct of two iodide and two triiodide anions and three diiodine molecules. Two 4,4´-bipyridinium cations and two water molecules form a cyclic dimer through N-H· · ·O hydrogen bonds. Only weak hydrogen bonding is found between these cyclic dimers and the polyiodide anions.

Polymorphs of phenazine hexacyanoferrate(II) hydrate: supramolecular isomerism in a 2D hydrogen-bonded network

2021 ◽  
Vol 77 (2) ◽  
pp. 211-218
Author(s):  
Ivica Cvrtila ◽  
Vladimir Stilinović
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
The Other ◽  
Two Dimensional ◽  
Structural Motifs ◽  
Supramolecular Isomerism ◽  
Other Hand ◽  
Π Stacking ◽  
Hydrogen Bonded

The crystal structures of two polymorphs of a phenazine hexacyanoferrate(II) salt/cocrystal, with the formula (Hphen)3[H2Fe(CN)6][H3Fe(CN)6]·2(phen)·2H2O, are reported. The polymorphs are comprised of (Hphen)2[H2Fe(CN)6] trimers and (Hphen)[(phen)2(H2O)2][H3Fe(CN)6] hexamers connected into two-dimensional (2D) hydrogen-bonded networks through strong hydrogen bonds between the [H2Fe(CN)6]2− and [H3Fe(CN)6]− anions. The layers are further connected by hydrogen bonds, as well as through π–π stacking of phenazine moieties. Aside from the identical 2D hydrogen-bonded networks, the two polymorphs share phenazine stacks comprising both protonated and neutral phenazine molecules. On the other hand, the polymorphs differ in the conformation, placement and orientation of the hydrogen-bonded trimers and hexamers within the hydrogen-bonded networks, which leads to different packing of the hydrogen-bonded layers, as well as to different hydrogen bonding between the layers. Thus, aside from an exceptional number of symmetry-independent units (nine in total), these two polymorphs show how robust structural motifs, such as charge-assisted hydrogen bonding or π-stacking, allow for different arrangements of the supramolecular units, resulting in polymorphism.

More examples of the 15-crown-5...H2O—M—OH2...15-crown-5 motif, M = Al3+, Cr3+ and Pd2+

2010 ◽  
Vol 66 (2) ◽  
pp. 213-221 ◽  
Author(s):  
Maxime A. Siegler ◽  
Jacob H. Prewitt ◽  
Steven P. Kelley ◽  
Sean Parkin ◽  
John P. Selegue ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Lattice Water Molecule ◽  
Literature Survey ◽  
The Other ◽  
Water Molecules ◽  
Lattice Water ◽  
Hydrogen Bonding Pattern ◽  
Hydrogen Bonded

Five structures of co-crystals grown from aqueous solutions equimolar in 15-crown-5 (or 15C5) and [M(H2O)6](NO3) n , M = Al3+, Cr3+ and Pd2+, are reported. The hydrogen-bonding patterns in all are similar: metal complexes including the fragment trans-H2O—M—OH2 alternate with 15C5 molecules, to which they are hydrogen bonded, to form stacks. A literature survey shows that this hydrogen-bonding pattern is very common. In each of the two polymorphs of the compound [Al(H2O)6](NO3)3·15C5·4H2O there are two independent cations; one forms hydrogen bonds directly to the 15C5 molecules adjacent in the stack, while the other cation is hydrogen-bonded to two water molecules that act as spacers in the stack. These stacks are then crosslinked by hydrogen bonds formed by the three nitrate counterions and the three lattice water molecules. The hydrogen-bonded stacks in [Cr(H2O)5(NO3)](NO3)2·1.5(15C5)·H2O are discrete rather than infinite; each unit contains two Cr3+ complex cations and three 15C5 molecules. These units are again crosslinked by the uncoordinated nitrate ions and a lattice water molecule. In [Pd(H2O)2(NO3)2]·15C5 the infinite stacks are electrically neutral and are not crosslinked. In [Pd(H2O)2(NO3)2]·2(15C5)·2H2O·2HNO3 a discrete, uncharged unit containing one Pd complex and two 15C5 molecules is `capped off' at either end by a lattice water molecule and an included nitric acid molecule. In all five structures the infinite stacks or discrete units form an array that is at least approximately hexagonal.

Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions

1996 ◽  
Vol 52 (6) ◽  
pp. 989-998 ◽  
Author(s):  
Q. Li ◽  
T. C. W. Mak
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Channel System ◽  
Nitrate Ion ◽  
Space Group ◽  
One Dimensional ◽  
X Ray Crystallography ◽  
Packing Arrangement ◽  
Host Lattices ◽  
Hydrogen Bonded

The new inclusion complexes tetraethylammonium nitrate–thiourea (1:3), (C2H5)4N+.NO3 −. 3(NH2)2CS (1), tetra-n-propylammonium nitrate–thiourea–water (1:3:1), (n-C3H7)4N+.NO3 −.3(NH2)2CS.H2O (2), tetramethylammonium nitrate–thiourea (1:1), (CH3)4N+.NO3 −.(NH2)2CS (3), tetra-n-propylammonium nitrate–thiourea (1:1), (n-C3H7)4N+.NO3 −. (NH2)2CS (4), and tetra-n-butylammonium nitrate–thiourea (1:1), (n-C4H9)4N+.NO3 −.(NH2)2CS (5) have been prepared and characterized by X-ray crystallography. Crystal data, Mo Kα: (1), space group P{\bar 1}, a = 10.300 (2), b = 14.704 (3), c = 15.784 (4) Å, α = 75.30 (3), β = 86.98 (3), γ = 72.25 (3)°, Z = 4 and RF = 0.039 for 5034 observed data; (2), space group P21/n, a = 8.433 (2), b = 9.369 (2), c = 34.361 (7) Å, β = 91.01 (3)°, Z = 4 and RF = 0.050 for 2475 observed data; (3), space group Pnma, a = 15.720 (3), b = 8.218 (2), c = 8.709 (2) Å, Z = 4 and RF = 0.073 for 579 observed data; (4), space group P21/n, a = 8.784 (2), b = 14.421 (3), c = 15.078 (3) Å, β = 92.31 (3)°, Z = 4 and RF = 0.046 for 2507 observed data; (5), space group Pna21, a = 19.934 (3), b = 12.680 (2), c = 9.092 (3) Å, Z = 4 and RF = 0.047 for 1646 observed data. In the crystal structure of (1) infinite chains each composed of an alternate arrangement of a twisted thiourea trimer and a nitrate ion are cross-linked to form a puckered layer and further hydrogen bonding between such layers leads to a channel host framework for accommodation of the cationic guests. In the crystal structure of (2) two independent thiourea molecules are used to construct a hydrogen-bonded puckered layer normal to the c axis, whereas the remaining thiourea molecule, together with the nitrate ion and water molecule, generate another puckered layer that is parallel to the first. Hydrogen bonding between these two types of layers gives rise to a channel system running parallel to the [100] direction and the cations are stacked regularly within each column. Compounds (3), (4) and (5) have closely related crystal structures in which the cations are separated by one-dimensional, infinitely extended thiourea–nitrate composite ribbons in a sandwich-like packing arrangement.

The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes

2016 ◽  
Vol 45 (8) ◽  
pp. 3398-3406 ◽  
Author(s):  
Kiyonori Takahashi ◽  
Norihisa Hoshino ◽  
Takashi Takeda ◽  
Koichiro Satomi ◽  
Yasutaka Suzuki ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Harmonic Generation ◽  
Coordination Complexes ◽  
Second Order ◽  
One Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Copper Coordination ◽  
Crystal Design ◽  
Hydrogen Bonded

The crystal structures, polarities, and second-order harmonic generation activities of one-dimensional copper coordination complexes with hydrogen-bonding interactions were investigated.

scholarly journals Hydrogen-bonding patterns in 2,2-bis(4-methylphenyl)hexafluoropropane pyridinium and ethylenediammonium salt crystals

2020 ◽  
Vol 76 (5) ◽  
pp. 742-746 ◽  
Author(s):  
Haruki Sugiyama
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Water Molecules ◽  
Space Group ◽  
One Dimensional ◽  
Salt Crystals ◽  
Bonding Patterns ◽  
Hydrogen Bonded

The crystal structures of two salt crystals of 2,2-bis(4-methylphenyl)hexafluoropropane (Bmphfp) with amines, namely, dipyridinium 4,4′-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoate 4,4′-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoic acid, 2C5H6N+·C17H8F6O4 2−·C17H10F6O4, (1), and a monohydrated ethylenediammonium salt ethane-1,2-diaminium 4,4′-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)dibenzoate monohydrate, C2H10N2 2+·C17H8F6O4 2−·H2O, (2), are reported. Compounds 1 and 2 crystallize, respectively, in space group P21/c with Z′ = 2 and in space group Pbca with Z′ = 1. The crystals of compound 1 contain neutral and anionic Bmphfp molecules, and form a one-dimensional hydrogen-bonded chain motif. The crystals of compound 2 contain anionic Bmphfp molecules, which form a complex three-dimensional hydrogen-bonded network with the ethylenediamine and water molecules.

scholarly journals Straightforward preparation of supramolecular Janus nanorods by hydrogen bonding of end-functionalized polymers

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Shuaiyuan Han ◽  
Sandrine Pensec ◽  
Dijwar Yilmaz ◽  
Cédric Lorthioir ◽  
Jacques Jestin ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Self Assembly ◽  
Functional Materials ◽  
Phase Segregation ◽  
Building Blocks ◽  
Functionalized Polymers ◽  
Nanometer Range ◽  
One Dimensional ◽  
Oil In Water ◽  
Hydrogen Bonded

Abstract Janus cylinders are one-dimensional colloids that have two faces with different compositions and functionalities, and are useful as building blocks for advanced functional materials. Such anisotropic objects are difficult to prepare with nanometric dimensions. Here we describe a robust and versatile strategy to form micrometer long Janus nanorods with diameters in the 10-nanometer range, by self-assembly in water of end-functionalized polymers. The Janus topology is not a result of the phase segregation of incompatible polymer arms, but is driven by the interactions between unsymmetrical and complementary hydrogen bonded stickers. Therefore, even compatible polymers can be used to form these Janus objects. In fact, any polymers should qualify, as long as they do not prevent co-assembly of the stickers. To illustrate their applicative potential, we show that these Janus nanorods can efficiently stabilize oil-in-water emulsions.

One-dimensional Hydrogen-bonded Chloride-Hydrate Assembly {[(H2O)4Cl2]2–}∞

2007 ◽  
Vol 62 (4) ◽  
pp. 491-494 ◽  
Author(s):  
Ji-Xiang Dai ◽  
Fang-Hui Wu ◽  
Wen-Rui Yao ◽  
Qian-Feng Zhang
Keyword(s):  
Hydrogen Bonding ◽  
Bond Length ◽  
Chloride Ions ◽  
Water Molecules ◽  
One Dimensional ◽  
Self Assembled ◽  
Chloride Hydrate ◽  
Hydrogen Bonded

A hydrogen-bonded chloride-hydrate assembly {[(H2O)4Cl2]2−}∞ has been ion-countered by the complex cations [Fe([9]aneS3)2]2+ ([9]aneS3 = 1,4,7-trithiacyclononane). In {[(H2O)4Cl2]2−}∞, four water molecules and two chloride ions are self-assembled to form a one-dimensional supramolecular array of O-H···O and O-H···Cl hydrogen bonding, which consists of fused fourand six-membered rings. The discrete cation [Fe([9]aneS3)2]2+ has a nearly regular octahedral FeS6 core with an average Fe-S bond length of 2.2586(5) Å .

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