scholarly journals Crystal structure of guanidinium hexafluoridovanadate(III), (CN3H6)3[VF6]: an unusual hybrid compound related to perovskite

2017 ◽  
Vol 73 (3) ◽  
pp. 244-246 ◽  
Author(s):  
Cameron Black ◽  
Philip Lightfoot
Keyword(s):  
Crystal Structure ◽  
Physical Properties ◽  
Title Compound ◽  
Crystal Chemical ◽  
Hybrid Compound ◽  
Structure Space ◽  
Perovskite Materials ◽  
Synthetic Routes ◽  
Cubic Structure ◽  
Covalent Interactions

Vanadium fluorides with novel crystal–chemical features and interesting physical properties can be prepared by solvothermal synthetic routes. The title compound, guanidinium hexafluoridovanadate(III), has a cubic structure (space group Pa\overline{3}), exhibiting isolated regular VF6 octahedral units, which are hydrogen bonded to protonated guanidinium moieties. Although the VF6 octahedral units are not linked directly together, there are structural similarities between this crystal structure and those of the wider family of perovskite materials, in particular, hybrid perovskites based on extended ligands such as cyanide. In this context, the octahedral tilt system of the present compound is of interest and demonstrates that unusual tilt systems can be mediated via `molecular' linkers which allow only supramolecular rather than covalent interactions.

scholarly journals (R)-Baclofen [(R)-4-amino-3-(4-chlorophenyl)butanoic acid]

2022 ◽  
Vol 78 (1) ◽  
Author(s):  
Feodor Belov ◽  
Alexander Villinger ◽  
Jan von Langermann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Title Compound ◽  
Single Crystal Xrd ◽  
Butanoic Acid ◽  
Orthorhombic Crystal ◽  
Orthorhombic Crystal Structure ◽  
Space Group ◽  
Structure Space

This article provides the first single-crystal XRD-based structure of enantiopure (R)-baclofen (form C), C10H12ClNO2, without any co-crystallized substances. In the enantiopure title compound, the molecules arrange themselves in an orthorhombic crystal structure (space group P212121). In the crystal, strong hydrogen bonds and C—H ... Cl bonds interconnect the zwitterionic molecules.

Structure of [(CH3)2NH2]2CoCl4 at elevated temperatures

1999 ◽  
Vol 55 (5) ◽  
pp. 752-757 ◽  
Author(s):  
Amir H. Mahmoudkhani ◽  
Vratislav Langer
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Phase Transitions ◽  
Physical Properties ◽  
Electric Conductivity ◽  
Title Compound ◽  
Structural Changes ◽  
Elevated Temperatures ◽  
The Other ◽  
Cell Parameters

The crystal structure of the title compound, dimethylammonium tetrachlorocobaltate(II), has been determined at four temperatures between 297 and 366 K, in order to investigate possible phase transitions at 313 and 353 K [Kapustianik, Polovinko & Kaluza et al. (1996). Phys. Status Solidi A, 153, 117–122]. We found that there is no significant change either in the hydrogen-bonding network or in the cell parameters, apart from a linear dilatation with temperature. This study reveals that the anomalous variation in electric conductivity and some of the other physical properties of the compound cannot be explained by structural changes.

scholarly journals Quinine dihydrochloride hemihydrate

IUCrData ◽  
2021 ◽  
Vol 6 (4) ◽  
Author(s):  
Grace I. Anderson ◽  
Sophia Bellia ◽  
Matthias Zeller ◽  
Patrick C. Hillesheim ◽  
Arsalan Mirjafari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Double Bond ◽  
Long Range ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Hydrogen Atoms ◽  
Non Covalent Interactions ◽  
Long Range Ordering ◽  
Covalent Interactions

Numerous non-covalent interactions link together discrete molecules in the crystal structure of the title compound, 2C20H26N2O2 2+·4Cl−·H2O {systematic name: 4-[(5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)(hydroxy)methyl]-6-methoxyquinolin-1-ium dichloride hemihydrate}. A combination of hydrogen bonding between acidic H atoms and the anions in the asymmetric unit forms a portion of the observed hydrogen-bonded network. π–π interactions between the aromatic portions of the cation appear to play a role in the formation of the long-range ordering. One ethylene double bond was found to be disordered. The disorder extends to the neighboring carbon and hydrogen atoms.

Ternary Scandium-rich Indides Sc50T13In3 and Sc50Rh13In3Oy (T = Rh, Ir; y ≈ 8) – Synthesis and Crystal Structure

2007 ◽  
Vol 62 (12) ◽  
pp. 1567-1573 ◽  
Author(s):  
Roman Zaremba ◽  
Rainer Pöttgen
Keyword(s):  
Crystal Structure ◽  
Intermetallic Compounds ◽  
Induction Furnace ◽  
Structure Type ◽  
Crystal Chemical ◽  
Synthesis And Crystal Structure ◽  
Sample Chamber ◽  
Cubic Structure ◽  
Scandium Content ◽  
Tetrahedral Voids

New intermetallic compounds Sc50Rh13.3In2.7 and Sc50Ir13.6In2.4 and the suboxides Sc49.2Rh13In3.8O8.8 and Sc49.2Rh13.7In2.8O8.0 were synthesized from the elements or with Sc2O3 as an oxygen source, respectively, in sealed tantalum tubes in a water-cooled sample chamber of an induction furnace. They crystallize with a new cubic structure type, space group Fm3̅, a = 1772.5(6) pm, wR2 = 0.032, 1111 F2 values, 34 variables for Sc50Rh13.3In2.7, a = 1766.5(6) pm, wR2 = 0.041, 745 F2 values, 34 variables for Sc50Ir13.6In2.4, a = 1764.4(2) pm, wR2 = 0.044, 690 F2 values, 41 variables for Sc49.2Rh13In3.8O8.8, and a = 1761.5(6) pm, wR2 = 0.054, 740 F2 values, 42 variables for Sc49.2Rh13.7In2.8O8.0. The main structural motifs are rhodium-centered indium cubes in an fcc like arrangement in which the octahedral and tetrahedral voids are filled by In2Sc12 and In1Sc12 icosahedra, respectively, resembling a Li3Bi-like structure. The Rh1 (Ir1) and Sc4 atoms lie between these polyhedral units. The oxygen atoms partially fill Sc6 octahedra in Sc49.2Rh13In3.8O8.8 and Sc49.2Rh13.7In2.8O8.0 with Sc-O distances of 214 - 230 pm. These octahedra are condensed via common edges and faces, encapsulating the In2Sc12 icosahedra. Due to the high scandium content one observes strong Sc-Sc bonding with Sc-Sc distances ranging from 303 to 362 pm in Sc49.2Rh13In3.8O8.8. The shortest distances occur for Sc-Rh (267 - 295 pm). The crystal chemical relationship with the Li3Bi-related suboxide Ti12Sn3O10 is discussed.

scholarly journals Tetraammonium bis(metforminium) di-μ6-oxido-tetra-μ3-oxido-tetradeca-μ2-oxido-octaoxidodecavanadium(V) hexahydrate

IUCrData ◽  
2021 ◽  
Vol 6 (6) ◽  
Author(s):  
J. Alberto Polito-Lucas ◽  
José A. Núñez-Ávila ◽  
Sylvain Bernès ◽  
Aarón Pérez-Benítez
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Intermolecular Hydrogen Bonds ◽  
Space Group ◽  
Dimensional Network ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The title compound, (NH4)4(C4H12N5)2[V10O28]·6H2O, crystallizes with the decavanadate anion placed on an inversion centre in space group P\overline{1}. This anion is surrounded by a first shell of ammonium cations and water molecules, forming efficient N—H...O and O—H...O hydrogen bonds. A second shell includes metforminium monocations with a twisted geometry, also forming numerous intermolecular hydrogen bonds. The complex three-dimensional network of non-covalent interactions affords a crystal structure in which the cations and anions are densely packed.

scholarly journals Crystal structure of 4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}-1-methylpyridinium iodide

2015 ◽  
Vol 71 (12) ◽  
pp. o1069-o1070
Author(s):  
Katherine Chulvi ◽  
Ana Costero ◽  
Luis E. Ochando ◽  
Pablo Gaviña
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Molecular Geometry ◽  
Coulombic Interactions ◽  
Iodide Anion ◽  
Compound C ◽  
Centroid Distance ◽  
Phenyl Rings ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The molecular geometry of the ionic title compound, C14H17N4+·I−or DAZOP+·I−, is essentially featureless. Regarding the crystal structure, in addition to the obvious cation–anion Coulombic interactions, the packing is mostly directed by non-covalent interactions involving both ring systems, as well as the iodide anion. It consists of cationic molecules aligned along [101] and disposed in an antiparallel fashion while linked into π-bonded dimeric entities by a stacking contact involving symmetry-related phenyl rings, with a centroid–centroid distance of 3.468 (3) Å and a slippage of 0.951 Å. The dimers are, in addition, sustained by a number of C—H...I and I...π (I...centroid = 3.876 Å) interactions involving the anion. Finally, interdimeric contacts are of the C—H...I and C—H...π types.

scholarly journals Crystal structure of La24Ru11

2020 ◽  
Vol 76 (8) ◽  
pp. 1206-1208
Author(s):  
P. Cattaneo
Keyword(s):  
Crystal Structure ◽  
Type Structure ◽  
Crystal Chemical ◽  
Space Group ◽  
Structure Space ◽  
Trigonal Prisms

The compound La24Ru11 (tetracosalanthanum undecaruthenium) crystallizes in a Ce24Co11-type structure. The non-centrosymmetric crystal structure (space group P63 mc) contains RuLa6 trigonal prisms, La6 octahedra and LaRu4 tetrahedra and is closely related to that of Ce23Ni7Mg4. This communication highlights the crystal-chemical similarities and points out the differences between the two structures. All of the tested crystals were inversion twins.

A Novel Keggin Tungstocobaltate Framework Supported by Copperbipyridyl Complexes: [Cu(I)(2,2' -bipy)2]{[Cu(II)(2,2' -bipy)2]2[HCoW12O40]} · 4H2O

2010 ◽  
Vol 65 (12) ◽  
pp. 1445-1450
Author(s):  
Jingquan Sha ◽  
Li Xin ◽  
Baibin Zhou ◽  
Decheng Yu ◽  
Youle Qu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Electrochemical Behavior ◽  
Title Compound ◽  
Copper Complexes ◽  
Helical Structure ◽  
Water Molecules ◽  
Hydrothermal Conditions ◽  
Hybrid Compound ◽  
Inorganic Hybrid ◽  
X Ray

A new organic-inorganic hybrid compound based on Keggin tungstocobaltate units supported by copper complexes, [Cu(I)(2,2’-bipy)2]{[Cu(II)(2,2’-bipy)2]2[HCoW12O40]} ・ 4H2O (bipy = bipyridine), has been synthesized under hydrothermal conditions and characterized by elemental, IR, TG, and XPS analyses and X-ray single-crystal structure determination. The crystal structure is built up from bi-supported Keggin tungstocobaltate polyoxoanions {[Cu(II)(2,2’-bipy)2]2[HCoW12O40]}−, [Cu(I)(2,2’-bipy)2]+ cations and water molecules. The title compound possesses a 1D tangled helical structure composed of {[Cu(II)(2,2’-bipy)2]2[HCoW12O40]}− polyoxoanions via π・ ・ ・π interactions along the c axis. The electrochemical behavior of the title compound was studied.

Crystal structure of 12H+-2,4-benzo-1,5-dioxa-8,12,16-triaza-cyclooctadec-2-ene-7,17-dione picrate

2002 ◽  
Vol 217 (1) ◽  
Author(s):  
G. Hundal ◽  
S. Kumar ◽  
M. S. Hundal ◽  
H. Singh
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Compound C

AbstractThe title compound [C

Sign in / Sign up

Export Citation Format

Share Document