(NH4)[B3PO6(OH)3]·0.5H2O

2007 ◽  
Vol 63 (11) ◽  
pp. i185-i185 ◽  
Author(s):  
Wei Liu ◽  
Jingtai Zhao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Hydrogen Bond Network ◽  
Ammonium Ions ◽  
One Dimensional ◽  
Bond Network ◽  
Solvothermal Conditions

The title compound, ammonium catena-[monoboro-monodihydrogendiborate-monohydrogenphosphate] hemihydrate, was obtained under solvothermal conditions using glycol as the solvent. The crystal structure is constructed of one-dimensional infinite borophosphate chains, which are interconnected by ammonium ions and water molecules via a complex hydrogen-bond network to form a three-dimensional structure. The water molecules of crystallization are disordered over inversion centres, and their H atoms were not located.

scholarly journals Crystal structure of 2-amino-4-methylpyridin-1-ium (2R,3R)-3-carboxy-2,3-dihydroxypropanoate monohydrate

2014 ◽  
Vol 70 (9) ◽  
pp. o1036-o1037 ◽  
Author(s):  
J. V. Jovita ◽  
S. Sathya ◽  
G. Usha ◽  
R. Vasanthi ◽  
A. Ramanand
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Tartaric Acid ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Bond Forming ◽  
Molecular Salt

The title molecular salt, C6H9N2+·C4H5O6−·H2O, crystallized with two 2-amino-4-methylpyridin-1-ium cations, two L-(+)-tartaric acid monoanions [systematic name: (2R,3R)-3-carboxy-2,3-dihydroxypropanoate] and two water molecules in the asymmetric unit. In the crystal, the cations, anions and water molecules are linkedviaa number of O—H...O and N—H...O hydrogen bonds, and a C—H...O hydrogen bond, forming a three-dimensional structure

Crystal structure of rat haem oxygenase-1 in complex with ferrous verdohaem: presence of a hydrogen-bond network on the distal side

2009 ◽  
Vol 419 (2) ◽  
pp. 339-345 ◽  
Author(s):  
Hideaki Sato ◽  
Masakazu Sugishima ◽  
Hiroshi Sakamoto ◽  
Yuichiro Higashimoto ◽  
Chizu Shimokawa ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Proton Donor ◽  
Water Molecules ◽  
Amino Acid Residues ◽  
Hydrogen Bond Network ◽  
Iron Chelate ◽  
Distal Side ◽  
Haem Oxygenase ◽  
Bond Network

HO (haem oxygenase) catalyses the degradation of haem to biliverdin, CO and ferrous iron via three successive oxygenation reactions, i.e. haem to α-hydroxyhaem, α-hydroxyhaem to α-verdohaem and α-verdohaem to ferric biliverdin–iron chelate. In the present study, we determined the crystal structure of ferrous α-verdohaem–rat HO-1 complex at 2.2 Å (1 Å=0.1 nm) resolution. The overall structure of the verdohaem complex was similar to that of the haem complex. Water or OH− was co-ordinated to the verdohaem iron as a distal ligand. A hydrogen-bond network consisting of water molecules and several amino acid residues was observed at the distal side of verdohaem. Such a hydrogen-bond network was conserved in the structures of rat HO-1 complexes with haem and with the ferric biliverdin–iron chelate. This hydrogen-bond network may act as a proton donor to form an activated oxygen intermediate, probably a ferric hydroperoxide species, in the degradation of α-verdohaem to ferric biliverdin–iron chelate similar to that seen in the first oxygenation step.

scholarly journals Synthesis and structural study of tris(2,6-diaminopyridinium) bis(oxalato)dioxidovanadate(V) 2.5-hydrate

2019 ◽  
Vol 75 (5) ◽  
pp. 680-684
Author(s):  
Hiba Sehimi ◽  
Takashiro Akitsu ◽  
Mohamed Faouzi Zid
Keyword(s):  
Room Temperature ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Anionic Complex ◽  
Stacking Interactions ◽  
Hydrogen Bond Network ◽  
Slow Evaporation ◽  
Compound C ◽  
Bond Network

Crystals of the title compound, (C5H8N3)3[VO2(C2O4)2]·2.5H2O, a mononuclear VV complex, were obtained by slow evaporation at room temperature of an aqueous solution containing vanadium pentoxide, oxalic acid and 2,6-diaminopyridine. The asymmetric unit contains one bis(oxalato)dioxovanadate(V) anionic complex, three 2,6-diaminopyridinium cations and two and a half uncoordinated water molecules. The mononuclear vanadium(V) anions are connected to the organic cations and water molecules through a strong N—H...O and O—H...O hydrogen-bond network, consolidated by π–π stacking interactions, to form a three-dimensional structure.

On the crystal structures and hydrogen bond patterns in proline pseudopolymorphs

2010 ◽  
Vol 25 (3) ◽  
pp. 235-240 ◽  
Author(s):  
Luis E. Seijas ◽  
Gerzon E. Delgado ◽  
Asiloé J. Mora ◽  
Andrew N. Fitch ◽  
Michela Brunelli
Keyword(s):  
Crystal Structure ◽  
Amino Acids ◽  
Hydrogen Bond ◽  
Rietveld Method ◽  
Water Molecules ◽  
Hydrogen Bond Network ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Bond Network ◽  
Hydrogen Bond Patterns

Amino acids often cocrystallize with water molecules, which make them pseudopolymorphs of their anhydrous forms. In this work, we discuss in detail the hydrogen bond patterns in anhydrous L-proline and DL-proline and its pseudopolymorphic forms: L-proline monohydrate and DL-proline monohydrate. For this propose, the crystal structure of L-proline anhydrous was determined from synchrotron X-ray powder diffraction data and refined using the Rietveld method. Special emphasis is given to the role played by the water molecule in the hydrogen bond network observed in the crystalline structures.

Two polymorphs of bis(2-carbamoylguanidinium) fluorophosphonate dihydrate

2012 ◽  
Vol 68 (2) ◽  
pp. o71-o75 ◽  
Author(s):  
Jan Fábry ◽  
Michaela Fridrichová ◽  
Michal Dušek ◽  
Karla Fejfarová ◽  
Radmila Krupková
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Water Molecules ◽  
Hydrogen Bond Network ◽  
Hydrogen Bond Networks ◽  
Bond Network ◽  
Graph Set

Two polymorphs of bis(2-carbamoylguanidinium) fluorophosphonate dihydrate, 2C2H7N4O+·FO3P2−·2H2O, are presented. Polymorph (I), crystallizing in the space groupPnma, is slightly less densely packed than polymorph (II), which crystallizes inPbca. In (I), the fluorophosphonate anion is situated on a crystallographic mirror plane and the O atom of the water molecule is disordered over two positions, in contrast with its H atoms. The hydrogen-bond patterns in both polymorphs share similar features. There are O—H...O and N—H...O hydrogen bonds in both structures. The water molecules donate their H atoms to the O atoms of the fluorophosphonates exclusively. The water molecules and the fluorophosphonates participate in the formation ofR44(10) graph-set motifs. These motifs extend along theaaxis in each structure. The water molecules are also acceptors of either one [in (I) and (II)] or two [in (II)] N—H...O hydrogen bonds. The water molecules are significant building elements in the formation of a three-dimensional hydrogen-bond network in both structures. Despite these similarities, there are substantial differences between the hydrogen-bond networks of (I) and (II). The N—H...O and O—H...O hydrogen bonds in (I) are stronger and weaker, respectively, than those in (II). Moreover, in (I), the shortest N—H...O hydrogen bonds are shorter than the shortest O—H...O hydrogen bonds, which is an unusual feature. The properties of the hydrogen-bond network in (II) can be related to an unusually long P—O bond length for an unhydrogenated fluorophosphonate anion that is present in this structure. In both structures, the N—H...F interactions are far weaker than the N—H...O hydrogen bonds. It follows from the structure analysis that (II) seems to be thermodynamically more stable than (I).

scholarly journals The first coordination compound of 6-fluoronicotinate: the crystal structure of a one-dimensional nickel(II) coordination polymer containing the mixed ligands 6-fluoronicotinate and 4,4′-bipyridine

2020 ◽  
Vol 76 (4) ◽  
pp. 500-505 ◽  
Author(s):  
Nives Politeo ◽  
Mateja Pisačić ◽  
Marijana Đaković ◽  
Vesna Sokol ◽  
Boris-Marko Kukovec
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Coordination Polymer ◽  
Three Dimensional ◽  
Water Molecules ◽  
Sulfate Heptahydrate ◽  
One Dimensional ◽  
Lattice Water ◽  
Mixed Ligands ◽  
Polymeric Chains

A one-dimensional nickel(II) coordination polymer with the mixed ligands 6-fluoronicotinate (6-Fnic) and 4,4′-bipyridine (4,4′-bpy), namely, catena-poly[[diaquabis(6-fluoropyridine-3-carboxylato-κO)nickel(II)]-μ-4,4′-bipyridine-κ2 N:N′] trihydrate], {[Ni(6-Fnic)2(4,4′-bpy)(H2O)2]·3H2O} n , (1), was prepared by the reaction of nickel(II) sulfate heptahydrate, 6-fluoronicotinic acid (C6H4FNO2) and 4,4′-bipyridine (C10H8N2) in a mixture of water and ethanol. The nickel(II) ion in 1 is octahedrally coordinated by the O atoms of two water molecules, two O atoms from O-monodentate 6-fluoronicotinate ligands and two N atoms from bridging 4,4′-bipyridine ligands, forming a trans isomer. The bridging 4,4′-bipyridine ligands connect symmetry-related nickel(II) ions into infinite one-dimensional polymeric chains running in the [1\overline{1}0] direction. In the extended structure of 1, the polymeric chains and lattice water molecules are connected into a three-dimensional hydrogen-bonded network via strong O—H...O and O—H...N hydrogen bonds, leading to the formation of distinct hydrogen-bond ring motifs: octameric R 8 8(24) and hexameric R 8 6(16) loops.

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.

A novel one-dimensional CoIIcoordination polymer:catena-poly[[hexaaquacobalt(II)] [[diaquabis(sulfato-κO)cobalt(II)]-μ-4,4′-bipyridine-κ2N:N′] [[triaqua(sulfato-κO)cobalt(II)]-μ-4,4′-bipyridine-κ2N:N′]]

2012 ◽  
Vol 68 (9) ◽  
pp. m265-m268 ◽  
Author(s):  
Kai-Long Zhong ◽  
Ming-Yi Qian
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
The Other ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Sulfate Ion ◽  
Sulfate Ions ◽  
One Dimensional ◽  
The Third ◽  
Hydrogen Bonding Interactions

The title compound, {[Co(H2O)6][Co(SO4)(C10H8N2)(H2O)3][Co(SO4)2(C10H8N2)(H2O)2]}n, contains three crystallographically unique CoIIcentres, all of which are in six-coordinated environments. One CoIIcentre is coordinated by two bridging 4,4′-bipyridine (4,4′-bipy) ligands, one sulfate ion and three aqua ligands. The second CoIIcentre is surrounded by two N atoms of two 4,4′-bipy ligands and four O atoms,i.e.two O atoms from two monodentate sulfate ions and two from water molecules. The third CoIIcentre forms part of a hexaaquacobalt(II) ion. In the crystal structure, there are two different one-dimensional chains, one being anionic and the other neutral, and adjacent chains are arranged in a cross-like fashion around the mid-point of the 4,4′-bipy ligands. The structure features O—H...O hydrogen-bonding interactions between sulfate anions and water molecules, resulting in a three-dimensional supramolecular network.

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