Versatile oxalato-bridging modes: a novel three-dimensional framework structure of manganese(ii) oxalate complex [MnC2O4]·0.5H2O and the relationship with other manganese(ii) oxalates

2021 ◽  
Author(s):  
Wen-Yuan Wu ◽  
Tie-Huan Tang ◽  
Yi Li ◽  
Shuang Xu
Keyword(s):  
Water Molecule ◽  
3D Structure ◽  
Three Dimensional ◽  
Framework Structure ◽  
Oxalate Complex ◽  
The Relationship ◽  
Hydrogen Bonded

Versatile bridging oxalates build up the delicate 3D structure, leaving the cavity for a hydrogen-bonded water molecule.

Three Dimensional Modeling of Carbon Foams

2005 ◽  
Author(s):  
A. Druma ◽  
M. K. Alam ◽  
M. Anghelescu ◽  
C. Druma ◽  
B. Maruyama
Keyword(s):  
Complex Structure ◽  
3D Structure ◽  
Three Dimensional ◽  
Thermal And Mechanical Properties ◽  
Graphitized Carbon ◽  
Three Dimensional Modeling ◽  
Dimensional Modeling ◽  
Carbon Foams ◽  
True Representation ◽  
The Relationship

The relationship between the 3D structure of the open-cell carbon foams and its properties is particularly difficult to establish without a “true” representation of the foam. The complex structure of graphitized carbon foams is difficult to capture using one or even two-dimensional models. Several attempts have been made to model carbon foams as cellular materials. However, the regular models cannot account for the complex interaction between the pores in the true foam. The present paper characterizes the structure of “true” foam and links it to its thermal and mechanical properties.

scholarly journals Triaqua-1κO,2κ2 O-bis(2,2′-bipyridine)-1κ2 N,N′;2κ2 N,N′-chlorido-1κCl-μ-terephthalato-1:2κ2 O 1:O 4-dicopper(II) nitrate monohydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m746-m747
Author(s):  
Yang Liu ◽  
Yong-Lan Feng ◽  
Dai-Zhi Kuang
Keyword(s):  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Apical Position ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Chloride Ligand ◽  
Hydrogen Bonded

In the binuclear title compound, [Cu2(C8H4O4)Cl(C10H8N2)2(H2O)3]NO3·H2O, the two crystallographically independent CuII ions have similar coordination environments. One of the CuII ions has a square-pyramidal arrangement, which is defined by a water molecule occupying the apical position, with the equatorial ligators consisting of two N atoms from a 2,2′-bipyridine molecule, one carboxylate O atom from a terephthalate ligand and one O atom from a water molecule. The other CuII ion has a similar coordination environment, except that the apical position is occupied by a chloride ligand instead of a water molecule. An O—H...O and O—H...Cl hydrogen-bonded three-dimensional network is formed between the components.

scholarly journals Three closely related dibenzazepine carboxylic acids: hydrogen-bonded aggregation in one, two and three dimensions

2014 ◽  
Vol 70 (3) ◽  
pp. 332-337 ◽  
Author(s):  
Carlos M. Sanabría ◽  
Alirio Palma ◽  
Justo Cobo ◽  
Christopher Glidewell
Keyword(s):  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Carboxylic Acids ◽  
Three Dimensional ◽  
Three Dimensions ◽  
Framework Structure ◽  
Hydrogen Bonded

In the structure of (6R*,11R*)-5-acetyl-11-ethyl-6,11-dihydro-5H-dibenzo[b,e]azepine-6-carboxylic acid, C19H19NO3, (I), the molecules are linked into sheets by a combination of O—H...O and C—H...O hydrogen bonds; in the structure of the monomethyl analogue (6RS,11SR)-5-acetyl-11-ethyl-2-methyl-6,11-dihydro-5H-dibenzo[b,e]azepine-6-carboxylic acid, C20H21NO3, (II), the molecules are linked into simpleC(7) chains by O—H...O hydrogen bonds; and in the structure of the dimethyl analogue (6RS,11SR)-5-acetyl-11-ethyl-1,3-dimethyl-6,11-dihydro-5H-dibenzo[b,e]azepine-6-carboxylic acid, C21H23NO3, (III), a combination of O—H...O, C—H...O and C—H...π(arene) hydrogen bonds links the molecules into a three-dimensional framework structure. None of these structures exhibits theR22(8) dimer motif characteristic of simple carboxylic acids.

scholarly journals Crystal structure of NH4[La(SO4)2(H2O)]

2015 ◽  
Vol 71 (6) ◽  
pp. 663-666 ◽  
Author(s):  
Meriem Benslimane ◽  
Yasmine Kheira Redjel ◽  
Hocine Merazig ◽  
Jean-Claude Daran
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Three Dimensional ◽  
Sulfate Anion ◽  
Hydrogen Bonding Interactions ◽  
Trigonal Prisms ◽  
Hydrogen Bonded

The principal building units in the crystal structure of ammonium aquabis(sulfato)lanthanate(III) are slightly distorted SO4tetrahedra, LaO9polyhedra in the form of distorted tricapped trigonal prisms, and NH4+ions. The La3+cation is coordinated by eight O atoms from six different sulfate tetrahedra, two of which are bidentate coordinating and four monodentate, as well as one O atom from a water molecule; each sulfate anion bridges three La3+cations. These bridging modes result in the formation of a three-dimensional anionic [La(SO4)2(H2O)]−framework that is stabilized by O—H...O hydrogen-bonding interactions. The disordered ammonium cations are situated in the cavities of this framework and are hydrogen-bonded to six surrounding O atoms.

Two closely related, and unexpected, quinolinone derivatives: a three-dimensional hydrogen-bonded framework structure and a hydrogen-bonded molecular ribbon ofR22(18) andR44(24) rings

2012 ◽  
Vol 68 (6) ◽  
pp. o220-o225
Author(s):  
Daniel Insuasty ◽  
Rodrigo Abonía ◽  
Justo Cobo ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Unit Cell ◽  
Isomeric Form ◽  
Framework Structure ◽  
Space Group ◽  
Solvent Molecules ◽  
Hydrogen Bonded

1,5-Bis(4-chlorophenyl)-3-(2-oxo-1,2-dihydroquinolin-3-yl)pentane-1,5-dione, (Ia), and 1,5-bis(2-chlorophenyl)-3-(2-oxo-1,2-dihydroquinolin-3-yl)pentane-1,5-dione, (Ib), crystallize as an 84:16 mixture, 0.84C26H19Cl2NO3·0.16C26H19Cl2NO3, in the space groupI41/a, where the molecules of the two isomers occupy very similar sites in the unit cell. A combination of one N—H...O hydrogen bond and one C—H...O hydrogen bond links the molecules, regardless of isomeric form, into a single three-dimensional framework structure. The molecules of (9RS,10RS)-8,9-bis(4-chlorobenzyl)-10-(2-oxo-1,2-dihydroquinolin-3-yl)-5,6,9,10-tetrahydrophenanthridine, C36H22Cl2N2O4, (II), are linked by two hydrogen bonds, one each of the N—H...O and C—H...O types, into a molecular ribbon in which centrosymmetric rings ofR22(18) andR44(24) types alternate. The hydrogen-bonded ribbons enclose channels, which contain highly disordered solvent molecules.

scholarly journals Pyrazine-2-carbohydrazide: a three-dimensional hydrogen-bonded framework structure

2006 ◽  
Vol 62 (9) ◽  
pp. o3765-o3767 ◽  
Author(s):  
Solange M. S. V. Wardell ◽  
Marcus V. N. de Souza ◽  
James L. Wardell ◽  
John N. Low ◽  
Christopher Glidewell
Keyword(s):  
Three Dimensional ◽  
Framework Structure ◽  
Hydrogen Bonded

4-Hydroxy-3,5-dimethoxybenzaldehyde isonicotinoylhydrazone monohydrate

2007 ◽  
Vol 63 (11) ◽  
pp. o4467-o4467
Author(s):  
Yi-Feng Sun ◽  
Xin-Li Wang ◽  
Ji-Kun Li ◽  
Xue-Li Cheng ◽  
Ren-Tao Wu
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Pyridine Ring ◽  
Organic Molecule ◽  
Tautomeric Form ◽  
Three Dimensional ◽  
Framework Structure ◽  
Compound C ◽  
Ratio Of Components

In the title compound, C15H15N3O4·H2O, the organic molecule exists in the keto–imine tautomeric form. The benzene ring makes a dihedral angle of 49.9 (2)° with the pyridine ring. The molecules pack in a three-dimensional framework structure by a combination of O—H...O, O—H...N, N—H...O and N—H...N hydrogen bonds. The water molecule of hydration is disordered [ratio of components 0.758 (7):0.242 (7)].

(Z)-5-[(5-Methyl-1H-imidazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one monohydrate: a three-dimensional hydrogen-bonded framework structure

2012 ◽  
Vol 68 (11) ◽  
pp. o468-o471 ◽  
Author(s):  
Alberto Insuasty ◽  
Braulio Insuasty ◽  
Justo Cobo ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Organic Component ◽  
Framework Structure ◽  
Compound C ◽  
Molecular Components ◽  
Hydrogen Bonded

The non-H atoms in the organic component of the title compound, C8H7N3OS2·H2O, are almost coplanar, as the dihedral angle between the two ring planes is only 1.8 (2)°; there is a wide C—C—C angle of 127.8 (3)° at the methine C atom linking the two rings. The molecular components are linked into a three-dimensional framework structure by two-centre hydrogen bonds of N—H...O and O—H...N types, together with a three-centre O—H...(N,S) system. Comparisons are made with some (Z)-5-arylmethylidene-2-sulfanylidene-1,3-thiazolidin-4-ones.

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