Racemic calcium tartrate tetrahydrate [form (II)] in rat urinary stones

2009 ◽  
Vol 65 (3) ◽  
pp. 350-354 ◽  
Author(s):  
A. Le Bail ◽  
D. Bazin ◽  
M. Daudon ◽  
A. Brochot ◽  
V. Robbez-Masson ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Rat Kidney ◽  
Urinary Stones ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
Calcium Tartrate ◽  
Network Of Hydrogen Bonds

The title compound, [Ca(C4H4O6)]·4H2O, calcium tartrate tetrahydrate, is a new triclinic centrosymmetric form identified in rat kidney calculus. The crystal structure was determined from powder and single-crystal X-ray diffraction. The four water molecules belong to one square face of the Ca-atom coordination (a square antiprism), the four O atoms of the second square face coming from two tartrate anions, building infinite chains alternating Ca atom polyhedra and tartrate anions along a, with the chains cross-linked by a network of hydrogen bonds.

Crystal Structure of Calcium Picrate Pentahydrate: A New Eight-Coordinate Stereochemistry for [M(bidentate)2(unidentate)4]

1979 ◽  
Vol 32 (2) ◽  
pp. 301 ◽  
Author(s):  
V Diakiw ◽  
TW Hambley ◽  
DL Kepert ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Single Crystal ◽  
Title Compound ◽  
Lattice Site ◽  
The Other ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Triangular Face ◽  
X Ray

The crystal structure of the title compound, Ca(C6H2N307)2,5H2O, has been determined by single-crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.049 for 1513 'observed' reflections. Crystals are orthorhombic, Pmab, a 24.169(6), b l0.292(7), c 8.554(2) �, Z 4. The stereochemistry about the calcium has not been observed previously for the system [M(bidentate)2- (unidentate)4]; in the present structure, the calcium is coordinated by a pair of bidentate picrate ligands and the four water molecules in an array in which three of the water molecules occupy a triangular face of a square antiprism, the overall array having m symmetry. The remaining water molecule occupies a lattice site with no close interaction with the other species.

scholarly journals Crystal structure, synthesis and thermal properties of bis(4-benzoylpyridine-κN)bis(isothiocyanato-κN)bis(methanol-κN)iron(II)

2020 ◽  
Vol 76 (2) ◽  
pp. 276-280
Author(s):  
Carsten Wellm ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Thermal Properties ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Aged Sample ◽  
X Ray Diffraction ◽  
Pure Sample ◽  
X Ray ◽  
Structure Synthesis ◽  
Solvent Molecules

In the crystal structure of the title compound, [Fe(NCS)2(C12H9NO)2(CH4O)2], the FeII cations are octahedrally coordinated by two N atoms of 4-benzoylpyridine ligands, two N atoms of two terminal isothiocyanate anions and two methanol molecules into discrete complexes that are located on centres of inversion. These complexes are linked via intermolecular O—H...O hydrogen bonds between the methanol O—H H atoms and the carbonyl O atoms of the 4-benzoylpyridine ligands, forming layers parallel to (101). Powder X-ray diffraction proved that a pure sample was obtained but that this compound is unstable and transforms into an unknown crystalline phase within several weeks. However, the solvent molecules can be removed by heating in a thermobalance, which for the aged sample as well as the title compound leads to the formation of a compound with the composition Fe(NCS)2(4-benzoylpyridine)2, which exhibits a powder pattern that is similar to that of Mn(NCS)2(4-benzoylpyridine)2.

Diaquabis(1,10-phenanthroline-κ2 N,N′)manganese(II) thiodiglycolate bis(1,10-phenanthroline-κ2 N,N′)(thiodiglycolato-κ2 O,O′)manganese(II) tridecahydrate

2003 ◽  
Vol 59 (11) ◽  
pp. m429-m431 ◽  
Author(s):  
Jaromír Marek ◽  
Zdeněk Trávníček ◽  
Pavel Kopel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Bidentate Ligand ◽  
Membered Ring ◽  
Water Molecules ◽  
Thiodiglycolic Acid ◽  
Network Of Hydrogen Bonds ◽  
Hydrogen Bonded

The title compound, [Mn(C12H8N2)2(H2O)2](C4H4O4S)·[Mn(C4H4O4S)(C12H8N2)2]·13H2O, contains one dianion of thiodiglycolic acid (tdga2−) and two independent manganese(II) moieties, viz. [Mn(phen)2(H2O)2]2+ and [Mn(tdga)(phen)2], where phen is 1,10-phenanthroline. The MnII atoms are octahedrally coordinated by four N atoms of two bidentate phen ligands [Mn—N = 2.240 (2)–2.3222 (19) Å] and either two water O atoms or two tdga carboxyl O atoms [Mn—O = 2.1214 (17)–2.1512 (17) Å]. The tdga ligand chelates as an O,O′-bidentate ligand, forming an eight-membered ring with one Mn atom. The free tdga2− dianion is hydrogen bonded to an [Mn(phen)2(H2O)2]2+ ion, with O...O distances of 2.606 (2) and 2.649 (2) Å. The crystal structure is further stabilized by an extensive network of hydrogen bonds involving 13 water molecules.

Crystal structure of dicadmium(II) ethylenediphosphinetetraacetate octahydrate

1991 ◽  
Vol 56 (7) ◽  
pp. 1454-1460 ◽  
Author(s):  
Jaroslav Podlaha ◽  
Jana Podlahová
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Single Crystal ◽  
Diffraction Data ◽  
Title Compound ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Coordination Polyhedra ◽  
X Ray ◽  
Carboxylate Groups

The crystal structure of the title compound containing a phosphorus analogue of EDTA as the ligand was determined from single-crystal X-ray diffraction data and refined to R = 0.028 for 1 920 observed reflections. The crystals are monocyclic, space group P21/c,a = 8.6169(8), b = 16.0539(9), c = 8.2504(6)Å, β = 103.458(7)° and Z = 2. The structure is completely different from that of the nitrogen prototype, [CdEDTA]2-. It consists of double-stranded polymeric layers which are composed of metal coordination polyhedra linked by μ6-hexadentate ligands; the layers lie parallel to the bc plane and are joined along the a axis through hydrogen bonding donated by water molecules. Because of steric requirements of phosphorus, the coordination polyhedron around Cd is greatly distorted and can best be described as a 5 + 3 type. One P atom, two oxygen atoms from two monodentate carboxylate groups and two water molecules form an approximate trigonal bipyramid and further three more remote carboxylate oxygens complete the arrangement, resulting in an O7P distorted bicapped trigonal prism.

Synthesis and Crystal Structure of [Zn(C14H12N2)(HCO2)2]•2H2O

2011 ◽  
Vol 279 ◽  
pp. 174-178
Author(s):  
Sheng Liang Ni ◽  
Yue Meng ◽  
Pei Song Tang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Complex Molecules ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Phenanthroline Ligand ◽  
Packing Interactions ◽  
3D Framework

Reactions of a freshly prepared Zn(OH)2-2x(CO3)x×yH2O precipitate, formic acid with 2,9’-dimethyl-1,10’-phenanthroline in CH3OH/H2O afforded [Zn(C14H12N2)(HCO2)2]·2H2O. The title compound was structurally characterized by X-ray diffraction methods. It consists of complex molecules [Zn(C14H12N2)(HCO2)2] in which Zn atoms are hexa-coordinated by two N atoms of one phenanthroline ligand and four O atoms of two bidentate formate groups. In the crystal, molecules are connected by O–H···O hydrogen bonds forming layers parallel to (010), and the resulting layers are further linked 3D framework along [100] by π-π packing interactions.

scholarly journals Crystal structure and absolute configuration of (3aS,4S,5R,7aR)-2,2,7-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol

2015 ◽  
Vol 71 (9) ◽  
pp. 1013-1016 ◽  
Author(s):  
Mario A. Macías ◽  
Leopoldo Suescun ◽  
Enrique Pandolfi ◽  
Valeria Schapiro ◽  
Gaurao D. Tibhe ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Absolute Configuration ◽  
Title Compound ◽  
Membered Ring ◽  
X Ray Diffraction ◽  
X Ray ◽  
Compound C ◽  
The Mean

The absolute configuration of the title compound, C10H16O4, determined as 3aS,4S,5R,7aRon the basis of the synthetic pathway, was confirmed by X-ray diffraction. The molecule contains a five- and a six-membered ring that adopt twisted and envelope conformations, respectively. The dihedral angle between the mean planes of the rings is 76.80 (11)° as a result of theircis-fusion. In the crystal, molecules are linked by two pairs of O—H...O hydrogen bonds, forming chains along [010]. These chains are further connected by weaker C—H...O interactions along [100], creating (001) sheets that interact only by weak van der Waals forces.

catena-Poly[[nickel(II)-μ2-[1,3-bis(imidazol-1-ylmethyl)benzene-κ2N3:N3′]-μ2-(5-carboxybenzene-1,3-dicarboxylato-κ4O1,O1′:O3,O3′)] 0.41-hydrate]

2012 ◽  
Vol 68 (12) ◽  
pp. m336-m339 ◽  
Author(s):  
Xiao-Dan Wang ◽  
Guang-Feng Hou ◽  
Ying-Hui Yu ◽  
Jin-Sheng Gao
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Triangular Prism ◽  
Supramolecular Framework ◽  
Bidentate Ligands ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray

The title compound, {[Ni(C9H4O6)(C14H14N4)]·0.41H2O}n, exhibits a three-dimensional hydrogen-bonded supramolecular framework. The NiIIcation is six-coordinated in a distorted triangular prism defined by two N atoms from two 1,3-bis(imidazol-l-ylmethyl)benzene (bix) ligands and four O atoms from two 5-carboxybenzene-1,3-dicarboxylate (HBTC) dianions. The bix molecules and HBTC dianions both act as bidentate ligands, linking the NiIIcations to form a one-dimensional coordination polymer. A two-dimensional wave-like net is constructed by O—H...O hydrogen bonds linking adjacent chains. Partially occupied solvent water molecules fill the cavities and link these layers to form a three-dimensional supramolecular structureviaO—H...O hydrogen bonds. The title compound was also characterized by powder X-ray diffraction and thermogravimetric analysis.

A new hydrated ammonium hydroxyborate, (NH4)2[B10O14(OH)4]·H2O

2003 ◽  
Vol 59 (11) ◽  
pp. i115-i116 ◽  
Author(s):  
Lin-Yan Li ◽  
Guo-Bao Li ◽  
Ming Xiong ◽  
Ying-Xia Wang ◽  
Jian-Hua Lin
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystal ◽  
Title Compound ◽  
Building Blocks ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Ammonium Ions ◽  
Synthetic Compound ◽  
Triclinic Space Group ◽  
X Ray

The structure of a new synthetic compound, diammonium tetrahydroxydecaborate monohydrate, has been determined by single-crystal X-ray diffraction. It crystallizes in triclinic space group P\overline 1 and all atoms occupy general sites. The title compound is composed of [B10O15(OH)4]4− ions as the fundamental building blocks, and these are linked end-to-end by sharing two common O atoms, thus producing infinite chains of composition [B10O14(OH)4] n 2n–. These chains are linked by hydrogen bonds, thus forming borate sheets. Water molecules and ammonium ions between these sheets connect adjacent sheets via hydrogen bonds.

An enantiomerically pure P-stereogenic bisphosphine: (S,S)-ethylenebis[(2-methylphenyl)phenylphosphine] (o-tolyl-DiPAMP)

2014 ◽  
Vol 70 (12) ◽  
pp. 1174-1177
Author(s):  
Wioletta Bendzińska-Berus ◽  
Magdalena Kaik-King ◽  
Gary King ◽  
Urszula Rychlewska
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Research Program ◽  
Structure Determination ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Acta Cryst ◽  
Enantiomerically Pure ◽  
X Ray

In connection with a research program involving the synthesis, structure determination, reactivity and ability to coordinate to metal centres of chiral bisphosphine ligands, we have synthesized and structurally characterized, by means of single-crystal X-ray diffraction analysis, the title compound {systematic name: (S,S)-(ethane-1,2-diyl)bis[(2-methylphenyl)phenylphosphane], abbreviated aso-tolyl-DiPAMP}, C28H28P2. So far, neither the free bisphosphine (DiPAMP) nor analogues that incorporate the ethylenebisphosphine frame have had their crystal structures reported. The investigated compound forms crystals which are isostructural with the bisphosphine dioxide analogue [Kinget al.(2007).Acta Cryst.E63, o3278], despite the involvement of the dioxide in C—H...O(=P) hydrogen bonds and the lack of similar hydrogen bonds in the investigated crystal structure. In both molecules, the P—C—C—P chain is in atransconformation, extended further at both ends by one of the two P—Cipsobonds. The planes of the phenyl ando-tolyl rings attached to the same P atom are nearly perpendicular to one another. Both crystal structures are mainly stabilized by dispersive interactions.

scholarly journals A New Decavanadate with Organic Cation: Synthesis, Crystal Structure, and Hirshfeld Surface Analysis

2021 ◽  
Vol 2021 ◽  
pp. 1-8
Author(s):  
Rawia Nasri ◽  
Regaya Ksiksi ◽  
Mohsen Graia ◽  
Mohamed Faouzi Zid
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Room Temperature ◽  
Organic Cation ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Van Der Waals Interactions ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray

A new 2,6-bis aminomethyl piperidine decavanadate hydrate, (C7N3H20)2V10O28.4.21H2O, was synthesized by slow evaporation of a solution at room temperature. The molecular structure was investigated by single-crystal X-ray diffraction. In the crystal structure, the layers of decavanadate groups, organic cations, and water molecules are arranged parallel to the (010) plane. Also, the prepared compound has been analysed by FTIR spectroscopy and scanning electron microscopy (SEM). The crystal structure of the title compound is stabilized by hydrogen bonds and van der Waals interactions. The cohesion of the structure is ensured by O-H…O and N-H…O hydrogen bonds. The three-dimensional Hirshfeld surface (3D-HS) and the relative two-dimensional fingerprint plots (2D-FPs) of (C7N3H20)2V10O28.4.21H2O compound revealed that the structure is dominated by O…H/H…O (70.8%) and H…H (18.5%) contacts.

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