Polysulfonylamine, CL [1]. Wasserstoffbrücken in kristallinen Oniumdimesylamiden: Ein robustes Achtring-Synthon in den Strukturen von Methyluronium- und 1,1-Dimethyluronium-dimesylamid./Polysulfonylamines, CL [1]. Hydrogen Bonding in Crystalline Onium Dimesylamides: A Robust Eight-Membered Ring Synthon in the Structures of Methyluronium and 1,1-Dimethyluronium Dimesylamide

2002 ◽  
Vol 57 (1) ◽  
pp. 113-121 ◽  
Author(s):  
Dagmar Henschel ◽  
Thomas Hamann ◽  
Oliver Moers ◽  
Armand Blaschette ◽  
Peter G. Jones
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Ion Pairs ◽  
Three Dimensional ◽  
Membered Ring ◽  
Transfer Reactions ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Dimensional Network ◽  
Proton Transfer Reactions

Methyluronium dimesylamide (1) and 1,1-dimethyluronium dimesylamide (2) have been prepared by proton transfer reactions of the strong nitrogen acid HN(SO2Me)2 with the corresponding ureas and characterized by low-temperature X-ray diffraction (1: orthorhombic, space group P212121, Z′ = 1; 2: orthorhombic, Pna21, Z′ = 2). Compound 2 appears to be the first crystallographically established 1,1-dimethyluronium salt. As a common feature, the three independent formula units consist of ion pairs held together by an eight-membered ring synthon [N2 = R22(8), antidromic] constructed from a syn,syn-sequence H-O-C(sp2)-N-H ofthe cation and a V-shaped O-S(sp3)-N fragment of the anion via homonuclear two-centre hydrogen bonds. The surplus N-H donors form hydrogen bonds to O=S acceptors in adjacent formula units, leading to a three-dimensional network (1) or a pseudo-21 symmetric helical catemer ofalternatingly inequivalent formula units (2). In both structures, the activated methyl groups give rise to numerous short interionic C-H···O contacts, the more prominent of which are analyzed in terms ofweak hydrogen bonding [cut-off criteria: d(H···O) ≤ 270 pm, θ(C-H···O) ≥130°].

Crystal Structure of Diethylammonium p-Aminobenzoate (Nevanide)

1999 ◽  
Vol 52 (6) ◽  
pp. 625 ◽  
Author(s):  
Graham Smith ◽  
Colin H. L. Kennard ◽  
Karl A. Byriel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Ion Pairs ◽  
Three Dimensional ◽  
The Other ◽  
Monoclinic Space Group ◽  
Dimensional Network ◽  
A Cell ◽  
Amine Groups

The crystal structure of Nevanide (diethylammonium p-aminobenzoate) has been determined and refined to a residual R 0·055 for 2797 observed reflections. Crystals are monoclinic, space group C 2/c, with 32 ion pairs in a cell with dimensions a 29·510(6), b 17·150(1), c 20·473(5) Å, β 115·153(9)°. The structure is made up of a network of hydrogen-bonded ions; in this network the 4-aminobenzoate anions form a primary cyclic tetramer unit in which the amine groups of two residues are linked tail to tail through hydrogen bonds to single carboxylate oxygens of the other two residues. All oxygens are then linked peripherally to layers of diethylammonium cations by strong hydrogen bonding, with all possible hydrogen bonding sites utilized, giving a three-dimensional network array.

scholarly journals 14,15-Didehydrohellebrigenin

2012 ◽  
Vol 68 (6) ◽  
pp. o1614-o1615
Author(s):  
Tong Yu ◽  
Hai-Yan Tian ◽  
Xiao-Feng Yuan ◽  
Shu-Zhi Hu ◽  
Ren-Wang Jiang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Lactone Ring ◽  
Three Dimensional ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Dimensional Network ◽  
Hydroxy Groups

The title compound, C24H30O5, is the didehydro product of the steroid hellebrigenin (systematic name: 3β,5,14-trihydroxy-19-oxo-5β-bufa-20,22-dienolide). It consists of three cyclohexane rings (A, B and C), a five-membered ring (D) and a six-membered lactone ring (E). The stereochemistry of the ring junctions are A/B cis, B/C trans and C/D cis. Cyclohexane rings A, B and C have normal chair conformations. The five-membered ring D with the C=C bond adopts an envelope conformation. Lactone ring E is essentially planar with a mean derivation of 0.006 (4) Å and is β-oriented at the C atom of ring D to which it is attached. There is an O—H...O hydrogen bond in the molecule involving the hydroxy groups. In the crystal, O—H...O hydrogen bonds link the molecules into chains propagating along [010]. The chains are linked by C—H...O contacts into a three-dimensional network.

scholarly journals 2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate

IUCrData ◽  
2017 ◽  
Vol 2 (5) ◽  
Author(s):  
P. Sivakumar ◽  
G. Ezhamani ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Ion Pairs ◽  
Three Dimensional ◽  
Water Molecules ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Molecular Salt

In the title hydrated molecular salt, C6H9N2+·C8H7O3−·2H2O, the cation is protonated at the pyridine N atom. The cation and anion are linked by a pair of N—H...O hydrogen bonds, which generates anR22(8) loop, and the dihedral angle between their ring planes is 16.07 (14)°. The ion pairs are linked by O—H...O hydrogen bonds involving the water molecules, generating a three-dimensional network. Weak C—H...O and aromatic π–π stacking [centroid-to-centroid distance = 3.5874 (17) Å] interactions are also observed.

scholarly journals Crystal structure and hydrogen bonding in the water-stabilized proton-transfer salt brucinium 4-aminophenylarsonate tetrahydrate

2016 ◽  
Vol 72 (5) ◽  
pp. 751-755 ◽  
Author(s):  
Graham Smith ◽  
Urs D. Wermuth
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Network Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Arsanilic Acid ◽  
Dimensional Network

In the structure of the brucinium salt of 4-aminophenylarsonic acid (p-arsanilic acid), systematically 2,3-dimethoxy-10-oxostrychnidinium 4-aminophenylarsonate tetrahydrate, (C23H27N2O4)[As(C6H7N)O2(OH)]·4H2O, the brucinium cations form the characteristic undulating and overlapping head-to-tail layered brucine substructures packed along [010]. The arsanilate anions and the water molecules of solvation are accommodated between the layers and are linked to them through a primary cation N—H...O(anion) hydrogen bond, as well as through water O—H...O hydrogen bonds to brucinium and arsanilate ions as well as bridging water O-atom acceptors, giving an overall three-dimensional network structure.

Chlorido(dimethyl 2,2′-bipyridine-4,4′-dicarboxylate-κ2N,N′)(η5-pentamethylcyclopentadienyl)rhodium(III) chloride 1-hydroxypyrrolidine-2,5-dione disolvate

2013 ◽  
Vol 69 (6) ◽  
pp. 584-587
Author(s):  
Dharmalingam Sivanesan ◽  
Hyung Min Kim ◽  
Yoon Sungho
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Substitution Reaction ◽  
Three Dimensional ◽  
Title Complex ◽  
Rhodium Complex ◽  
Synthetic Route ◽  
Dimensional Network ◽  
Weak Hydrogen Bonds ◽  
Solvent Molecules

The title complex, [Rh(C10H15)Cl(C14H12N2O4)]Cl·2C4H5NO3, has been synthesized by a substitution reaction of the precursor [bis(2,5-dioxopyrrolidin-1-yl) 2,2′-bipyridine-4,4′-dicarboxylate]chlorido(pentamethylcyclopentadienyl)rhodium(III) chloride with NaOCH3. The RhIIIcation is located in an RhC5N2Cl eight-coordinated environment. In the crystal, 1-hydroxypyrrolidine-2,5-dione (NHS) solvent molecules form strong hydrogen bonds with the Cl−counter-anions in the lattice and weak hydrogen bonds with the pentamethylcyclopentadienyl (Cp*) ligands. Hydrogen bonding between the Cp* ligands, the NHS solvent molecules and the Cl−counter-anions form links in a V-shaped chain of RhIIIcomplex cations along thecaxis. Weak hydrogen bonds between the dimethyl 2,2′-bipyridine-4,4′-dicarboxylate ligands and the Cl−counter-anions connect the components into a supramolecular three-dimensional network. The synthetic route to the dimethyl 2,2′-bipyridine-4,4′-dicarboxylate-containing rhodium complex from the [bis(2,5-dioxopyrrolidin-1-yl) 2,2′-bipyridine-4,4′-dicarboxylate]rhodium(III) precursor may be applied to link Rh catalysts to the surface of electrodes.

5,5-Diethylbarbiturate Complexes of Silver with 2,2’-Bipyridine and 3-(2-Pyridyl)propanol: Syntheses, Crystal Structures, Spectroscopic, Thermal and Antimicrobial Activity Studies August 28, 2007

2008 ◽  
Vol 63 (2) ◽  
pp. 134-138 ◽  
Author(s):  
Fatih Yilmaz ◽  
Veysel T. Yilmaz ◽  
Haydar Karakaya ◽  
Orhan Büyükgüngör
Keyword(s):  
Antimicrobial Activity ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Dimensional Network ◽  
Monodentate Ligands ◽  
Bacteria And Fungi ◽  
Decomposition Behavior

Two silver 5,5-diethylbarbiturate (barb) complexes with 2,2'-bipyridine (bpy) and 3-(2-pyridyl) propanol (pypr), [Ag(barb)(bpy)] (1) and [Ag(barb)(pypr)] (2), have been prepared and characterized by elemental analysis, IR spectroscopy, thermal analysis, and single crystal X-ray diffraction. Both complexes crystallize in the triclinic space group P1 with Z = 2. The barb ligand in 1 is N-coordinated and the bpy ligand acts as a bichelating ligand leading to an AgN3 tricoordination. Crystals of 1 feature a three-dimensional network based on N-H···O hydrogen bonding, π(bpy)···π(bpy), C-H···π(bpy) and π(bpy)-Ag interactions. In 2, the pypr and barb ligands behave as monodentate ligands through their N atoms, forming a distorted linear AgN2 coordination. Molecules of 2 are doubly bridged by N-H···O hydrogen bonds and further connected via O-H···O hydrogen bonds and aromatic π(pypr)···π(pypr) stacking interactions into a supramolecular network. Both complexes exhibit similar thermal decomposition behavior in air. The first stage corresponds to removal of the co-ligands such as bpy or pypr while the degradation of the barb moiety occurs at higher temperatures to give Ag2O. Like the barb, bpy and pypr ligands, 2 does not show any significant antimicrobial activity, but 1 is active against bacteria and fungi

Polysulfonylamine, CXXVI [1] Wasserstoffbrücken in kristallinen Onium-dimesylamiden: Ein robustes Achtring-Synthon in Koexistenz mit einem dritten Wasserstoffbrückenmotiv - Cyclodimere, Ketten, supramolekulare Bindungsisomere und ein fünffach verwobenes dreidimensionales (C-H ∙∙∙ O - Netzwerk / Polysulfonylamines, CXXVI [1] Hydrogen Bonding in Crystalline Onium Dimesylamides: A Robust Eight- Membered Ring Synthon in Coexistence with a Third Hydrogen Bonding Motif - Cyclodimers, Chains, Supramolecular Linkage Isomers, and a Quintuply Interwoven Three-Dimensional C - H ∙∙∙ O Network

2000 ◽  
Vol 55 (8) ◽  
pp. 738-752 ◽  
Author(s):  
Oliver Moers ◽  
Karna Wijaya ◽  
Ilona Lange ◽  
Armand Blaschette ◽  
Peter G. Jones
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Crystal Engineering ◽  
Ion Pairs ◽  
Three Dimensional ◽  
Membered Ring ◽  
Monoclinic Space Group ◽  
Hydrogen Bond Donor ◽  
Linkage Isomers ◽  
Ionic Solids

As an exercise in crystal engineering, low-temperature X-ray structures were determined for six rationally designed ionic solids of general formula BH+(MeSO2)2N−, where BH+ is 2-aminopyridinium (2, monoclinic, space group P21/c, Z = 4), 2-aminopyrimidinium (3, orthorhombic, Pbca, Z = 8), 2-aminothiazolium (4, orthorhombic, Pbcn, Z = 8), 2-amino-6-methylpyridinium (5, solvated with 0.5 H20, monoclinic, C2/c, Z = 8), 2-amino-1,3,4-thiadiazolium (6, triclinic, P1̄, Z = 2), or 2-amino-4,6-dimethylpyrimidinium (7, orthorhombic. Fdd2, Z = 16). The onium cations in question exhibit a trifunctional hydrogen-bond donor sequence H − N (H*)-C (sp2) − N − H , which is complementary to an O − S (sp3)−N fragment of the anion and simultaneously expected to form a third hydrogen bond via the exocyclic N − H* donor. Consequently, all the crystal packings contain cation-anion pairs assembled by an N − H ∙∙∙ N and an N −H ∙∙∙ O hydrogen bond, these substructures being mutually associated through an N − H* ∙∙∙ O bond. For the robust eight-membered ring synthon within the ion pairs [graph set N2 = R22(8), antidromic], two supramolecular isomers were observed: In 2 and 3, N − H ∙∙∙ N originates from the ring NH donor and N − H ∙∙∙ O from the exocyclic amino group, whereas in 4-7 these connectivities are reversed. The third hydrogen bond, N − H*∙∙∙ O , leads either to chains of ion pairs (generated by a 21 transformation in 2-4 or by a glide plane in 5) or to cyclic dimers of ion pairs (Ci symmetric in 6, C2-symmetric in 7). The overall variety of motifs observed in a small number of structures reflects the limits imposed on the prediction of hydrogen bonding patterns. Owing to the excess of potential acceptors over traditional hydrogen-bond donors, several of the structures display prominent non-classical secondary bonding. Thus, the cyclodimeric units of 6 are associated into strands through short antiparallel O ∙∙∙ S(cation) interactions. In the hemihydrate 5, two independent C-H(cation) ∙∙∙ O bonds generate a second antidromic R22(8) pattern, leading to sheets composed of N − H ∙∙∙ N/O connected catemers; the water molecules are alternately sandwiched between and O - H ∙∙∙ O bonded to the sheets to form bilayers, which are cross-linked by a third C − H (cation ) ∙∙∙ O contact. The roof-shaped cyclodimers occurring in 7 occupy the polar C2 axes parallel to z and build up hollow Car− H ∙∙∙ O bonded tetrahedral lattices; in order to fill their large empty cavities, five translationally equivalent lattices mutually interpenetrate.

scholarly journals (3aR*,8bR*)-3a,8b-Dihydroxy-1-(4-methylphenyl)-2-methylsulfanyl-3-nitro-1,8b-dihydroindeno[1,2-b]pyrrol-4(3aH)-one

2014 ◽  
Vol 70 (3) ◽  
pp. o279-o280
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
R. Ranjith Kumar ◽  
V. Jeyachandran ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules ◽  
Hydroxy Groups

The asymmetric unit of the title compound, C19H16N2O5S, contains four independent molecules (A,B,CandD), with two molecules (BandD) displaying disorder in their methylsulfanyl groups [occupancy ratios of 0.797 (11):0.203 (11) and 0.85 (2):0.15 (2)]. The nitro groups are twisted slightly out of the planes of the 2-pyrroline rings to which they are bonded with dihedral angles of 10.17 (1), 8.01 (1), 9.44 (1) and 8.87 (1)° in moleculesA,B,CandD, respectively. The 2-pyrroline rings are almost orthogonal to the attached tolyl rings, forming dihedral angles of 73.44 (1), 81.21 (1), 88.18 (8) and 73.94 (1)° for moleculesA,B,CandD, respectively. A weak intramolecular O—H...O interaction is observed in moleculesBandC. The two hydroxy groups in each molecule are involved in intermolecular O—H...O hydrogen bonding. In the crystal, molecules are connectedviaO—H...O and C—H...O hydrogen bonds, forming a complex three-dimensional network.

Poly[[μ-(1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonato)]sodium]: a powder X-ray diffraction study

2013 ◽  
Vol 69 (8) ◽  
pp. 815-818 ◽  
Author(s):  
Mwaffak Rukiah ◽  
Thaer Assaad
Keyword(s):  
Hydrogen Bonding ◽  
Rietveld Method ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The title two-dimensional coordination polymer, [Na(C2H8NO6P2)]n, was characterized using powder X-ray diffraction data and its structure refined using the Rietveld method. The asymmetric unit contains one Na+cation and one (1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonate) anion. The central Na+cation exhibits distorted octahedral coordination geometry involving two deprotonated O atoms, two hydroxy O atoms and two double-bonded O atoms of the bisphosphonate anion. Pairs of sodium-centred octahedra share edges and the pairs are in turn connected to each other by the biphosphonate anion to form a two-dimensional network parallel to the (001) plane. The polymeric layers are connected by strong O—H...O hydrogen bonding between the hydroxy group and one of the free O atoms of the bisphosphonate anion to generate a three-dimensional network. Further stabilization of the crystal structure is achived by N—H...O and O—H...O hydrogen bonding.<!?tpb=18.7pt>

The crystal chemistry of duftite, PbCuAsO4(OH) and the β-duftite problem

1998 ◽  
Vol 62 (1) ◽  
pp. 121-130 ◽  
Author(s):  
Kharisun ◽  
Max R. Taylor ◽  
D. J. M Bevan ◽  
Allan Pring
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Chemistry ◽  
Three Dimensional ◽  
The Other ◽  
Orthorhombic Space Group ◽  
Teller Distortion ◽  
Modulated Structure ◽  
Dimensional Network ◽  
Jahn Teller ◽  
Jahn Teller Distortion

AbstractDuftite, PbCu(AsO4)(OH) is orthorhombic, space group P212121 with a = 7.768(1), b = 9. 211(1), c = 5.999(1) Å, Z = 4; the structure has been refined to R = 4.6% and Rw = 6.5% using 640 observed reflections [F> 2σ(F)]. The structure consists of chains of edge-sharing CuO6 ‘octahedra’, parallel to c; which are linked via AsO4 tetrahedra and Pb atoms in distorted square antiprismatic co-ordination to form a three dimensional network. The CuO6 ‘octahedra’ show Jahn-Teller distortion with the elongation running approximately along <627>. The hydrogen bonding network in the structure was characterized using bond valence calculations. ‘β-duftite’ is an intermediate in the duftite-conichalcite series, which has a modulated structure based on the intergrowth of the two structures in domains of approximately 50 Å. The origin of the modulation is thought to be associated with displacements in the oxygen lattice and is related to the orientation of the Jahn-Teller distortion of CuO6 ‘octahedra’. Approximately half of the strips show an elongation parallel to <627> while the other strips are elongated parallel to [010]. This ordering results in an increase in the b cell repeat compared to duftite and conichalcite.

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