Untersuchungen an Polyhalogeniden, XXXXII [1]. Das Pentaiodid-Ion I5-; Eine Übersicht: Darstellung und Kristallstruktur der Verbindung [Rb(C16H24O6)](I5) · H2O

2001 ◽  
Vol 56 (3) ◽  
pp. 271-280 ◽  
Author(s):  
Ingo Pantenburg ◽  
Karl-Friedrich Tebbe
Keyword(s):  
Crystal Structure ◽  
The Other ◽  
Trans Configuration ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Zigzag Chain ◽  
Space Group ◽  
Independent Molecules

Abstract [Rb(benzo-18-crown-6)](I5) H2O could be prepared by the reaction of benzo-18-crown-6, rubidium iodide, and iodine in ethanol / dichloromethane. It crystallizes in the monoclinic space group P21/a with a = 1881.8(3), b = 1439.0(2), c = 2269.0(3) pm, ß = 111.24(1)° and Z = 8. The crystal structure was refined to RF = 0.038 for 5310 reflections. It contains two independent molecules. The two cations and the coordinating water molecules form a zigzag chain running along [100] paralleled by two structurally similar pentaiodide chains with one leg of the V-shaped pentaiodide ion forming the backbone of the chain. In both cases the other leg stands out in a novel fashion without forming a coplanar cis or trans configuration known from other pentaiodides. Anionic motifs of other crystalline pentaiodides are summarized and discussed.

The structure of reyerite, (Na,K)2Ca14Si22Al2O58(OH)8.6H2O

1988 ◽  
Vol 52 (365) ◽  
pp. 247-255 ◽  
Author(s):  
Stefano Merlino
Keyword(s):  
Crystal Structure ◽  
The Other ◽  
Water Molecules ◽  
Charge Balance ◽  
Alkali Cations ◽  
Structural Units ◽  
Tetrahedral Sheet ◽  
Space Group

AbstractThe crystal structure of reyerite, (Na,K)2Ca14Si22Al2O58(OH)8.6H2O, Z = 1, was refined in the space group P, a = 9.765, c = 19.067Å, to R = 0.064 for 1540 reflections. The structure is composed of the following structural units: (a) tetrahedral sheets S1, with composition (Si8O20)8−, characterized by six-membered rings of tetrahedra; (b) tetrahedral sheets S2, characterized by six-membered rings of tetrahedra, with six tetrahedra pointing in one direction and two pointing in the other direction—the apical oxygens of these two tetrahedra connect two inversion-related S2 sheets to build double sheets, with composition (Si14Al2O38)14− and ordered distribution of aluminum cations; (c) sheets O of edge-sharing calcium octahedra. The various structural units are connected through corner sharing according to the schematic sequence ……; the corresponding composition is [Ca14Si22Al2O58(OH)8]2−. The charge balance is restored by alkali cations which are placed, together with water molecules, in the cavities of the structure at the level of the double tetrahedral sheet.

Organoamido- and Aryloxo-lanthanoids. X. Tris(η2-3,5-di-t-butylpyrazolato)lanthanoid(III) Complexes and the X-Ray Crystal Structure of Er(η2-But2pz)3(thf)2

1994 ◽  
Vol 47 (7) ◽  
pp. 1223 ◽  
Author(s):  
JE Cosgriff ◽  
GB Deacon ◽  
BM Gatehouse ◽  
H Hemling ◽  
H Schumann
Keyword(s):  
Crystal Structure ◽  
Triphenylphosphine Oxide ◽  
The Other ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Oxygen Atoms

The complexes Ln (But2pz)3( thf )2 ( Ln = Y, La, Pr, Nd , Sm, Gd, Dy , Er , Yb, Lu; But2pz- = 3,5-di-t-butylpyrazolate; thf = tetrahydrofuran ), and [ Ln (But2pz)3(OPPh3)2].( dme )n ( Ln = La, n = ⅔ ; Ln = Er , n = 1; dme = 1,2-dimethoxyethane) have been prepared by reaction of the lanthanoid metal with bis ( pentafluorophenyl )mercury and the corresponding pyrazole in either thf , or in dme in the presence of triphenylphosphine oxide. The X-ray crystal structure of Er (η2-But2pz)3( thf )2 [monoclinic, space group P21 (No. 4), a 9.738(4), b 19.602(4), c 11.636(4) Ǻ, β 99.42(3)°, R 0.0374 for 3667 observed reflections] shows the complex to be an eight-coordinate monomer with three chelating But2pz ligands . The arrangement of centres ( Cen ) of the N-N bonds of the But2pz ligands [< Er -N> 2.336 Ǻ; Cen-Er-Cen 140.1(4)°, 110.3(4)° and 109.6(4)°] and the thf oxygen atoms [< Er -O> 2.351 Ǻ; O- Er -O 140.1(4)°] is intermediate between trigonal bipyramidal and square pyramidal. The other Ln (But2pz)3( thf )2 complexes and Ln (But2pz)3(OPPh3)2 are considered to have similar structures.

scholarly journals Crystal structure of a new polymorph of (2S,3S)-2-amino-3-methylpentanoic acid

2018 ◽  
Vol 74 (6) ◽  
pp. 776-779 ◽  
Author(s):  
Sofia Curland ◽  
Elena Meirzadeh ◽  
Yael Diskin-Posner
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Monoclinic Space Group ◽  
Asymmetric Unit ◽  
Space Group ◽  
Independent Molecules

A new polymorph of (2S,3S)-2-amino-3-methylpentanoic acid, L-isoleucine C6H13NO2, crystallizes in the monoclinic space group P21 with four independent molecules in the asymmetric unit. The molecules are zwitterions. In the crystal, N—H...O hydrogen bonds link two pairs of independent molecules and their symmetry-related counterparts to form two types of layers stacked in an anti-parallel manner parallel to (001). The hydrophobic aliphatic isopropyl groups protrude from these layers.

scholarly journals Die Kristallstruktur von Calciumhexacyanoferrat(II)- Hexamethylentetramin-Wasser(1/1/6) Ca2 [Fe(CN)6] · C6H12N4 · 6H2O / The Crystal Structure of Calciumhexacyanoferrate(II)- Hexamethylenetetramine-Water(1/1/6) Ca2[Fe(CN)6] · C 6H12N4 · 6H2O

1988 ◽  
Vol 43 (2) ◽  
pp. 135-137 ◽  
Author(s):  
H.-Jürgen Meyer ◽  
Joachim Pickardt
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Determination ◽  
Unit Cell ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray

Ca2[Fe(CN)6] · C6H12N4 · 6H2O crystallizes in the monoclinic space group B2/b with a = 1130,2(4), b = 1373,5(4), c = 1353,0(4) pm and γ = 97,17°. The X-ray single crystal structure determination converged at R = 0.055 (2057 reflections). Each of the four Fe(CN)6 octahedra (Z = 4) in the unit cell is coordinated by six Ca atoms with mean NCYAN - Ca distances of 253.5(3) pm. The Ca atoms are bridged by hexamethylenetetramine and water molecules

scholarly journals A third polymorph of 1,4-bis(1H-benzimidazol-2-yl)benzene

2014 ◽  
Vol 70 (6) ◽  
pp. o699-o699
Author(s):  
Wei-Wei Fu ◽  
Yan-Fei Liang ◽  
Yang Liu ◽  
Xiao-Ming Zhu
Keyword(s):  
Hydrogen Bonds ◽  
The Other ◽  
Monoclinic Space Group ◽  
Benzimidazole Ring ◽  
Asymmetric Unit ◽  
Orthorhombic Space Group ◽  
Acta Cryst ◽  
Space Group ◽  
Compound C ◽  
Independent Molecules

The title compound, C20H14N4, is a new polymorph of the previously reported structures, which were orthorhombic, space groupPbca[Beiet al.(2000).Acta Cryst.C56, 718–719] and monoclinic, space groupP21/c[Duddet al.(2003).Green Chem.5, 187–192]. The asymmetric unit consists of two independent molecules in which the dihedral angels between the central benzene ring and the outer benzimidazole ring systems are 16.81 (10) and 14.23 (10)° in one molecule and 26.09 (10) and 37.29 (10)° in the other. In the crystal, molecules are linked by N—H...N and C—H...N hydrogen bonds into a tape running along thec-axis direction.

Synthesis and crystal structure of a 3D copper(II)–silver(I) coordination polymer assembled through hydrogen bonding, π–π stacking and metal–π interactions, {[Cu(phen)2(CN)][Ag(CN)2] · 3H2O}n (phen = 1,10-phenanthroline)

2015 ◽  
Vol 70 (7) ◽  
pp. 455-459 ◽  
Author(s):  
Sidra Nawaz ◽  
Tobias Rüffer ◽  
Heinrich Lang ◽  
Muhammad Ashraf Shaheen ◽  
Saeed Ahmad ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Polymeric Complex ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Π Interactions ◽  
3D Network

AbstractA copper(II) polymeric complex {[Cu(phen)2(CN)][Ag(CN)2] · 3H2O}n, 1 (phen = 1,10-phenanthroline), has been prepared and structurally characterized. The compound crystallizes in the monoclinic space group P21/c with [Cu(phen)2(CN)]+ and [Ag(CN)2]− units and three water molecules. The cationic and anionic units are linked to each other through M-π and π–π interactions. The array is extended further by hydrogen bonding and π–π interactions to form a 3D network.

Synthesis and crystal structure of anhydrous Na[MnO4]

2016 ◽  
Vol 71 (9) ◽  
pp. 993-995 ◽  
Author(s):  
Jörg M. Bauchert ◽  
Harald Henning ◽  
Thomas Schleid
Keyword(s):  
Crystal Structure ◽  
Alkali Metal ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Hydrate Water ◽  
Anhydrous Compound ◽  
Structural Descriptions

AbstractThere are numerous reports in the literature about the amount of hydrate water in sodium permanganate, which is said to be between one half and three water molecules per Na[MnO4]. Because no structural descriptions of the hydrate and the anhydrous compound can be found yet, this work reports the synthesis of anhydrous Na[MnO4] via the Muthmann method and its crystal structure. Na[MnO4] crystallizes as dark purple needles in the monoclinic space group P21/n with a = 572.98(5), b = 842.59(7), c = 715.47(6) pm, β = 92.374(3)° and Z = 4. As such and with its isotype to Ag[MnO4], Na[MnO4] completes the series of anhydrous alkali-metal permanganates, comprising Li[MnO4] (orthorhombic, Cmcm, Cr[VO4] type) and the isostructural heavier congeners A[MnO4] (A = K, Rb, Cs; orthorhombic, Pnma, Ba[SO4] type).

scholarly journals Crystal Structure of Triclinic Colchiceine Hemihydrate

1985 ◽  
Vol 38 (3) ◽  
pp. 413 ◽  
Author(s):  
Maureen F Mackay ◽  
James D Morrison ◽  
Jacqueline M Gulbis
Keyword(s):  
Crystal Structure ◽  
Direct Methods ◽  
The Other ◽  
Water Molecules ◽  
Space Group

Triclinic crystals of colchiceine hemihydrate, C21H23N06.!H20, belong to the space group PI with a 8 .211(1), b 8�361(1), c16 �898(2) A, a 92 �35(1)", J3 93 �93(1)", l' 121�35(1)" and Z 2. The structure was solved by direct methods and successive difference syntheses with diffractometer data measured with CuKa radiation. Refinement converged at R 0�053 for 2798 observed reflections. The two tautomers, one of the isoco1chiceine and the other of the colchiceine form, exist as independent entities in the crystal; the angles between the normals to the plane of the benzene and troponoid rings are 44�5(4)" and 51� 5(5)" respectively. The hydroxyl and N-acetyl groups are oriented to form channels along the a-axis which accommodate the water molecules.

Die Kristallstrukturell von CaHg(SCN)4 · nH2O (n = 2,3). Verwandtschaftsbeziehungen zwischen den Verbindungsklassen der Tetrathiocyanatomercurate(II) von Erdalkaliionen und 3d-Metallionen / The Crystal Structures of CaHg(SCN)4 · nH2O (n = 2, 3). Relations between Tetrathiocyanatomercurates(II) of the Alkaline-Earth-Ions and Ions of the 3d-Type

1983 ◽  
Vol 38 (8) ◽  
pp. 911-916 ◽  
Author(s):  
Klaus Brodersen ◽  
Hans-U. Hummel
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Crystal Structures ◽  
Alkaline Earth ◽  
The Other ◽  
Monoclinic Space Group ◽  
Tetrahedral Coordination ◽  
Space Group ◽  
Metal Atoms ◽  
Nearest Neighbours

CaHg(SCN)4 · nH2O (n = 2(1), n = 3(2)) were isolated from an aqueous solution of Ca(NCS)2 · 4H2O and Hg(SCN)2· 1 is compared with the analogous MgHg(SCN)4 · 2H2O by means of powder patterns. The crystal structure of 2 has been determined. 2 is monoclinic, space group P21/c with a =9.469(4), b = 22.781(5), c = 6.587(4) Å, β = 93.6(3)°, Z = 4, dc = 2.46 g · cm-3.The structure was refined to R = 7.42 and Rw = 4.96% for 1224 independent reflec­tions.The species MHg(SCN)4 · 2H2O (M = Mg, Ca, Ni) contain nearly tetrahedral Hg(SCN)4 and octahedral M(OH2)2(NCS)4 groups which are joined by Hg-SCN-M bridges.In contrast the structures of the other compounds MHg(SCN)4 · nH2O (M = Co, n = 0; M = Ca, Sr, n = 3) are based on the diamond net. There is tetrahedral coordination of all the metal atoms, M having 4 N and Hg 4 S nearest neighbours. In the hydrates the H2O molecules are situated additionally at the Ca and Sr atoms [*].

The Crystal Structure of Chloro(1,10-phenanthroline-2-carboxamide Oxime)copper(II) Nitrate

1997 ◽  
Vol 50 (10) ◽  
pp. 1017
Author(s):  
Bradley J. Childs ◽  
Donald C. Craig ◽  
Marcia L. Scudder ◽  
Harold A. Goodwin
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Monoclinic Space Group ◽  
Zigzag Chain ◽  
Hydrogen Atoms ◽  
Space Group ◽  
Pyramidal Structure ◽  
Nitrate Ions

In chloro(1,10-phenanthroline-2-carboxamide oxime)copper(II) nitrate thecopper atom adopts a distorted square pyramidal structure with bridging chlorogroups producing a zigzag chain in which each tridentate phenanthroline amideoxime group coordinates through the oxime nitrogen atom and is essentiallyplanar. The planes of the tridentates are almost parallel, giving a stackedarray of the ligands within the chain. The nitrate ions link chains throughhydrogen bonding with the amino and oxime hydrogen atoms of the carboxamideoxime group. The crystals are monoclinic, space group P21/c,a9·2199(6), b21·794(1), c 7·2889(4) Å, β99· 900(3)˚, Z 4.

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