Acta Crystallographica Section C

Crystal Structure Communications

Volume 51, Part 6 (June 1995)

Cover illustration: Dimorphism in Actinide Phosphides: Tetrakis\[bis(2-dimethylphosphinoethyl)phosphido\]thorium(IV), see Coles, Edwards, Hursthouse & Read, pages 1060--1063. Displacement ellipsoids are plotted at the 50% probability level.

• inorganic compounds
• metal-organic compounds
• organic compounds

inorganic compounds

 

Two Polymorphic Forms of Ceric Potassium Nitrate, K₂Ce(NO₃)₆

N. Guillou, M. Louër, J. P. Auffrédic and D. Louër

Synopsis: The structures of the two polymorphic forms of K₂Ce(NO₃)₆ are built from discrete irregular [Ce(NO₃)₆]^2- icosahedra. The K atoms ensure the continuity of the structures by ionic contacts.

Formula: Two forms of K₂Ce(NO₃)₆

 

Cerous Potassium Nitrate, K₃Ce₂(NO₃)₉

N. Guillou, J. P. Auffrédic and D. Louër

Synopsis: The structure of K₃Ce₂(NO₃)₉ consists of a three-dimensional network of irregular [Ce₂(NO₃)₉]^3- icosahedra with K atoms located in the cavities.

Formula: K₃Ce₂(NO₃)₉

 

Barium Perrhenate Monohydrate

T. Todorov and J. Macícek

Synopsis: The triclinic structure of Ba(ReO₄)₂.H₂O closely resembles the pseudomonoclinic space group P2/c pattern with one formula in the asymmetric unit. The BaO₁₀ polyhedron is made up from eight O atoms pertaining to isolated ReO₄ tetrahedra and two O atoms from water molecules.

Formula: Ba(ReO₄)₂.H₂O

 

Na₂O₂.8H₂O

M. Grehl, R. Fröhlich and S. Thiele

Synopsis: The structure of Na₂O₂.8H₂O is built up from staggered chains of edge-sharing Na(H₂O)₆ octahedra. The chains are linked by the peroxide ions via hydrogen bonds.

Formula: Na₂O₂.8H₂O

 

Mercury(II) Selenite

M. Koskenlinna and J. Valkonen

Synopsis: HgSeO₃ is isomorphous with a series of perovskite-like MSeO₃ compounds, and has a structure consisting of a three-dimensional network of corner-sharing HgO₆ octahedra with Se⁴⁺ ions located in the cavities.

Formula: HgSeO₃

 

Polytypism of CuFe₂(OH)₂(AsO₄)₂: the Triclinic Modification

H. Effenberger

Synopsis: The O atoms in CuFe₂(OH)₂(AsO₄)₂ are cubic close packed; between successive layers only alternate octahedral or tetrahedral sites are occupied by Cu^[4+2] or Fe^[6] and As atoms. Neighbouring sheets of octahedra are linked by bifurcated hydrogen bonds.

Formula: CuFe₂(OH)₂(AsO₄)₂

 

Reconciling the Crystal Structure of [Ru(NH₃)₆]Cl₃ with its ESR Properties

L. M. Engelhardt, P. A. Reynolds and A. N. Sobolev

Synopsis: Hexaammineruthenium(III) trichloride forms monoclinic crystals containing four inequivalent Ru(NH₃)₆ fragments. The structure is consistent with the ESR spectrum of the compound.

Formula: [Ru(NH₃)₆]Cl₃

 

Nickel Ultraphosphate, NiP₄O₁₁

A. Olbertz, D. Stachel, I. Svoboda and H. Fuess

Synopsis: The structure of NiP₄O₁₁ is built from layers of cations and layers of corner-sharing PO₄ tetrahedra. Within the layers, rings containing 6 or 14 PO₄ tetrahedra are observed.

Formula: NiP₄O₁₁

 

Phosphorus Pentoxide at 233 K

D. Stachel, I. Svoboda and H. Fuess

Synopsis: The refinement of the structure of phosphorus pentoxide at 233 K results in P-O bond lengths and P-O-P bond angles which are in good agreement with those found in other crystalline phosphates. This is in contrast with the results of an earlier study of this compound.

Formula: P₂O₅

metal-organic compounds

 

Sodium 3-(2-Chlorophenyl)propenoate Dihydrate and Tetraaquamagnesium Bis[3-(2-hydroxyphenyl)propenoate]

B. M. Kariuki, J. B. Valim, W. Jones and J. King

Formula: Na⁺.C₉H₆ClO₂^-.2H₂O and Mg(H₂O)₄²⁺.2C₉H₇O₃^-

 

Monosodium L-Glutamate Pentahydrate

T. Kashiwagi, C. Sano, T. Kawakita and N. Nagashima

Formula: Na⁺.C₅H₈NO₄^-.5H₂O

 

Potassium Trifluorophenylborate

G. Conole, A. Clough and A. Whiting

Formula: K⁺.C₆H₅BF₃^-

 

Diaqua[2,13-dimethyl-3,12,18-triaza-6,9-dioxa-bicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene]magnesium(II) Diperchlorate

A. H. Othman and S. W. Ng

Formula: [Mg(C₁₅H₂₁N₃O₂)(H₂O)₂](ClO₄)₂

 

Dimorphism in Actinide Phosphides: Tetrakis[bis(2-dimethylphosphinoethyl)phosphido]thorium(IV)

S. J. Coles, P. G. Edwards, M. B. Hursthouse and P. W. Read

Formula: [Th(C₈H₂₀P₃)₄]

 

syn-[2,2-Bis(3-isopropyl-⁵-cyclopentadienyl)propane]dichlorotitanium

I. Urazowski, S. Mkoyan, L. Atovmyan, B. Gautheron, R. Broussier and P. Perron

Formula: [TiCl₂(C₁₉H₂₆)]

 

Dichloro(⁵-cyclopentadienyl){[1-(4-methoxyphenyl)cyclohexyl]-⁵-cyclopentadienyl}titanium(IV)

J. Tian, N.-H. Hu, Q. Shen and B.-T. Huang

Formula: [TiCl₂(C₅H₅)(C₁₈H₂₁O)]

 

(Benzobicyclooctatriene)tetracarbonylchromium

J. L. Blake, D. J. Cook, P. J. Squattrito and B. A. Howell

Formula: [Cr(C₁₂H₁₀)(CO)₄]

 

Dimeric Bis(-propionato-O:O')bis[bis(nicotinamide-N)(propionato-O)zinc(II)]

J. Skorsepa, K. Györyovà, M. Melník, K. Smolander and M. Ahlgrén

Formula: [Zn₂(C₃H₅O₂)₄(C₆H₆N₂O)₄]

 

Azido[2,6-bis(2-benzimidazolyl-N³)pyridine-N](methanol)(methanolato)nickel(II)

P. Jian, S. Wang, J. Suo, L. Wang and Q. Wu

Formula: [Ni(N₃)(CH₃O)(CH₄O)(C₁₉H₁₃N₅)]

 

Ethylenediaminium Dichromate

P. A. Lorenzo-Luis, P. Martín-Zarza, P. Gili, J. M. Arrieta, G. Germain and L. Dupont

Formula: C₂H₁₀N₂²⁺.Cr₂O₇^2-

 

A Chelate-Stabilized Molybdenum-Imido-Alkylidene Complex, [TpMo{CHC(Me)₂Ph}(NAr)(OTf)]

W. M. Vaughan, J. M. Bonella and K. A. Abboud

Formula: [Mo(CF₃O₃S)(C₁₀H₁₂)(C₁₂H₁₇N)(C₉H₁₀BN₆)]

 

trans-Dichlorooxo(2-propoxido)bis(triphenylphosphine)rhenium(V)

S. Abram, U. Abram, E. Schulz-Lang and J. Strähle

Formula: [ReOCl₂(C₃H₇O)(C₁₈H₁₅P)₂]

 

Bis(diethylenetriamine-N'-acetato)-di--hydroxo-dicobalt(III) Perchlorate

M.-Q. Chen, J. Liu, Z.-W. Mao, Q.-W. Hang and W.-X. Tang

Formula: [Co₂(C₆H₁₄N₃O₂)₂(OH)₂](ClO₄)₂

 

Bis(ethanol)-1O,4O-hexakis(-propionato)-1O:2O';2⁴O:3⁴O';3O:4O'-tetrakis(triphenylphosphine)-1²P,4²P-tetracopper(I,II), [Cu₄(C₃H₅O₂)₆(C₂H₆O)₂(C₁₈H₁₅P)₄]

M. Dunaj-Jurco, M. Koman, D. Valigura and G. Ondrejovic

Formula: [Cu₄(C₃H₅O₂)₆(C₂H₆O)₂(C₁₈H₁₅P)₄]

 

trans-Dichlorobis(1-ethyltetrazole-N⁴)copper(II)

A. V. Virovets, N. V. Podberezskaya, L. G. Lavrenova and G. A. Bikzhanova

Formula: [CuCl₂(C₃H₆N₄)₂]

 

Aqua[1,3-propanediyldiiminobis(1,3-dimethyl-5-nitrosouracilato)-⁴N⁵,N⁶,N¹⁵,N¹⁶]copper(II) Monohydrate

R. Kivekäs, M. Klinga, E. Colacio, J. M. Dominguez-Vera and A. Romerosa

Formula: [Cu(C₁₅H₁₈N₈O₆)(H₂O)].H₂O

 

Copper Disordered Hexakis(phenylethynyl)pentaargentate(I) Cluster

K. A. Al-Farhan, O. M. Abu-Salah, M. Mukhalalati and M. Jaafar

Formula: [N(C₁₈H₁₅P)₂][Ag_4.46Cu_0.54(C₈H₅)₆]

 

Bis[hydrotris(1-pyrazolyl-N²)borato]zinc(II)

K. Nakata, S. Kawabata and K. Ichikawa

Formula: [Zn(C₉H₁₀BN₆)₂]

 

Bis(2-chloro-6-fluorobenzoato)bis(nicotinamide)copper(II)

N. N. Hoang, F. Valach and M. Dunaj-Jurco

Formula: [Cu(C₇H₃ClFO₂)₂(C₆H₆N₂O)₂]

 

Tetrakis(imidazole)copper(II) Dibromide, [Cu(Him)₄]Br₂

O. J. Parker and G. L. Breneman

Formula: [Cu(C₃H₄N₂)₄]Br₂

 

trans-Dichlorobis(7-thiabicyclo[2.2.1]heptane)palladium(II) and trans-Dichlorobis(7-thiabicyclo[2.2.1]heptane)platinum(II)

M. Parvez, A. Primak and P. D. Clark

Formula: [PdCl₂(C₆H₁₀S)₂] and [PtCl₂(C₆H₁₀S)₂]

 

[M(CNMe)₄](PF₆)₂ (M = Pt, Pd)

J. G. Crossley and A. G. Orpen

Formula: [Pt(C₂H₃N)₄](PF₆)₂ and [Pd(C₂H₃N)₄](PF₆)₂

 

trans-Chloromethylbis(triphenylarsine)platinum(II)

A. Roodt, S. Otto and J. G. Leipoldt

Formula: [PtCl(CH₃)(C₁₈H₁₅As)₂]

 

[N,N'-Bis(benzimidazol-2-ylethyl)-1,2-ethanediamine](nitrato-O,O')nickel(II) Nitrate

M. Soriano-García, T. Pandiyan and C. Durán de Bazúa

Formula: [Ni(C₂₀H₂₄N₆)(NO₃)](NO₃)

 

(Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands

M. Zehnder, M. Neuburger, P. von Matt and A. Pfaltz

Formula: [Pd(C₂₃H₂₆N₂O₂)(C₃H₅)]PF₆ and[Pd(C₂₃H₂₆N₂O₂)(C₁₅H₁₃)]PF₆

 

fac- and mer-Dipyridiniomethane Trichlorotrifluoroosmate(IV), fac- and mer-[(C₅H₅N)₂CH₂][OsCl₃F₃]

C. Bruhn and W. Preetz

Formula: Two isomers of [(C₅H₅N)₂CH₂][OsCl₃F₃]

 

-(1,2,5,6-:3,4,7,8-)-1,3,5,7-Cyclooctatetraene-bis[dimethylplatinum(II)]

J. R. Doyle and N. C. Baenziger

Formula: [Pt₂(C₈H₈)(CH₃)₄]

 

Hexacarbonyl-1⁴C,2²C-[-1C⁶:2(⁵)-6-methylfulvene]diruthenium(Ru-Ru), [Ru₂(C₅H₄CHCH₃)(CO)₆\]

M. V. Capparelli, Y. De Sanctis and A. J. Arce

Formula: [Ru₂(C₇H₈)(CO)₆]

 

Die Chloroindate [PPh₄]₂[In₂Cl₆] und [PPh₄]₂[InCl₅].CH₃CN

W. Bubenheim, G. Frenzen und U. Müller

Formula: [(C₆H₅)₄P]₂[In₂Cl₆] und [(C₆H₅)₄P]₂[InCl₅].CH₃CN

 

Tetramethylammonium Dichlorotriphenylstannate

S. W. Ng

Formula: [(CH₃)₄N][SnCl₂(C₆H₅)₃]

 

Bis(phthalocyaninato)erbium (1 Phase)

G. Ostendorp, J.-P. Werner and H. Homborg

Formula: [Er(C₃₂H₁₆N₈)₂]

 

Potassium Hydrogen Phthalate Hemiperhydrate

B. M. Kariuki and W. Jones

Formula: K⁺.C₈H₅O₄^-.0.5H₂O₂

organic compounds

 

Vanillin-I

R. Velavan, P. Sureshkumar, K. Sivakumar and S. Natarajan

Formula: C₈H₈O₃

 

4,5-Dihydro-5,5-dimethyl-3H-1,2,4-triazol-3-one 1-Oxide

V. Kettmann, J. Svetlík and J. G. Schantl

Formula: C₄H₇N₃O₂

 

N-(Propargyloxy)phthalimide

T. Steiner

Formula: C₁₁H₇NO₃

 

cis- and trans-Dimethyl Spiro[(4',4'-dimethyl-2',6'-dioxacyclohexane)-1',3-(4-methylenebicyclo[3.3.0]octane)]-2,2-dicarboxylate

T. Yamada, H. Uekusa, Y. Ohashi, S. Yamago, X. Q. Wang and E. Nakamura

Formula: Two isomers of C₁₈H₂₆O₆

 

1,2-Diiod-1,2-bis(pentamethylcyclopentadienyl)diphosphan

H.-G. Stammler, P. Jutzi, B. Neumann and N. Brusdeilins

Formula: C₂₀H₃₀I₂P₂

 

2-Nitrophenyl Phenoxyformate, C₁₃H₉NO₅

G. L. Bryant Jnr and J. A. King Jnr

Formula: C₁₃H₉NO₅

 

S-Benzylisothiouronium Hydrogen 2-Oxopentanedioate, C₈H₁₁N₂S⁺.C₅H₅O₅^-

S. W. Ng

Formula: C₈H₁₁N₂S⁺.C₅H₅O₅^-

 

The Phenylhydrazone Form of 2-(4-Chlorophenylazo)-1,3-indandione

E. Kendi, S. Özbey, S. Ide, H.-K. Fun and B.-C. Yip

Formula: C₁₅H₉ClN₂O₂

 

Two Isomers of 5,7,12,14-Tetramethyl-1,4,8,11-tetraazacyclotetradecane

T. H. Tahirov, T.-H. Lu, G.-S. Liu, T.-Y. Chi and C.-S. Chung

Formula: C₁₄H₃₂N₄.2H₂O

 

Two Conformational Isomers of 2-Bromo-2,3-dihydro-2,3-(bibenzyl-2,2'-diyl)methano-1,4-naphthoquinone

H. Tamura, T. Oshima, G. Matsubayashi and T. Nagai

Formula: Two isomers of C₂₅H₁₇BrO₂

 

Tris(n-butyl)phosphine, Tris(tert-butyl)phosphine and Tris(trimethylsilyl)phosphine

J. Bruckmann and C. Krüger

Formula: Two isomers of C₁₂H₂₇P and C₉H₂₇PSi₃

 

Trimethylphosphine and Triethylphosphine in the Solid State

J. Bruckmann and C. Krüger

Formula: C₃H₉P and C₆H₁₅P

 

2-Cyano-2-methylsparteine

I. Wolska and T. Borowiak

Formula: C₁₇H₂₇N₃

 

Conformationally Defined Cyclohexyl Carnitine Analogs

W. J. Brouillette, G. M. Gray and A. Saeed

Formula: Three isomers of C₁₀H₂₀NO₃⁺.Cl^-

 

4,4'-Azoxydianisole at 203 K

C. Chebli and F. Brisse

Formula: C₁₄H₁₄N₂O₃

 

3-(4-Bromophenyl)-1-(3-thienyl)-2-propen-1-one (BTC)

Y. He, Q. Wu and G. Su

Formula: C₁₃H₉BrOS

 

(±)-threo-3-Hydroxy-2,3-diphenylpropanoic Acid Dimethylamide

T. Kolev, H. Preut, P. Bleckmann and I. Juchnovski

Formula: C₁₇H₁₉NO₂

 

2,3:7,13-Diépoxy-trans-himachalane

A. Chiaroni, C. Riche, A. Benharref, H. El Jamili et E. Lassaba

Formula: C₁₅H₂₄O₂

 

10-Hydroxybenzo[h]quinoline

M. Kubicki, T. Borowiak and W. Z. Antkowiak

Formula: C₁₃H₉NO

 

The Effect of Substituents on the Crystal Structure of -Amino Alcohols. 2-[(3,4-Dimethoxybenzyl)(methyl)amino]-2-phenylethanol

M. K. Urtiaga, M. I. Arriortua, D. Badía, E. Domínguez, A. M. González-Cameno, L. Ochando, M. Reventos and T. Debaerdemaeker

Formula: C₁₈H₂₃NO₃

 

[4,4',6,6'-Tetramethyl-(2,2'-isobutylidenedi-o-phenylene)] (2,6,7-Trioxa-1-phosphabicyclo[2.2.2]oct-4-ylmethyl) Phosphite, C₂₅H₃₂P₂O₆

H. Y. Elnagar, W. J. Layman and F. R. Fronczek

Formula: C₂₅H₃₂O₆P₂

 

Pyrylium Salts. VII. 2,4,6-Triphenylpyrylium Trichloroacetate

R. Anulewicz, B. Swirska and P. Milart

Formula: C₂₃H₁₇O⁺.C₂Cl₃O₂^-

 

11,12-Seco-12,13-didehydromultiflorine Perchlorate Hydrate

G. Dutkiewicz, M. Kubicki, T. Borowiak and W. Wysocka

Formula: C₁₅H₂₃N₂O⁺.ClO₄^-.H₂O

 

A Morphine Metabolite: (-)-Morphine-3-O--D-glucuronide Trihydrate (M3G.3H₂O)

Z. Urbanczyk-Lipkowska

Formula: C₂₃H₂₇NO₉.3H₂O

 

3-Acetylamino-1,4-benzoquinone 4-Oxime

T. Adatia, H. Barjesteh, J. Charalambous, N. Choi and M. McPartlin

Formula: C₈H₈N₂O₃

 

Two Related Potent Antiviral Compounds: 3-Bromo-N-butyl-4-butylamino-1,8-naphthalenedicarboximide (1) and 4-Amino-3-bromo-N-butyl-1,8-naphthalenedicarboximide (2)

R. G. Baughman, S.-C. Chang, R. E. Utecht and D. E. Lewis

Formula: C₂₀H₂₃BrN₂O₂ and C₁₆H₁₅BrN₂O₂

 

A New Polymorph of 7-Hydroxy-2',3',4'-trimethoxyflavone

J.-C. Wallet and V. Cody

Formula: C₁₈H₁₆O₆

 

Crystal Studies of Avarol Derivatives. 5'-Acetylavarol from Dysidea avara

R. Puliti, S. De Rosa and C. A. Mattia

Formula: C₂₃H₃₂O₃

 

The 2:1 Adduct of an -L-Altropyranose Derivative with Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone at 173 K

J. Kopf, G. Sheldrick, H. Reinke, D. Rentsch and R. Miethchen

Formula: 2C₁₇H₂₃F₆NO₆.C₉H₆F₁₂O₃

 

Senecivernine Dihydrate

M. Parvez and M. H. Benn

Formula: C₁₈H₂₅NO₅.2H₂O

 

An Unusual C6-Spiro-Fused Cyclouridine Derivative

M. P. Groziak, R. Lin and P. D. Robinson

Formula: C₁₃H₁₆N₂O₈

 

Tris(O-4-tert-butylphenyl)thiophosphate, C₃₀H₃₉O₃PS

O. Büyükgüngör, M. Odabasoglu, I.E. Gümrükçüoglu, K. Eichhorn and G. Mattern

Formula: C₃₀H₃₉O₃PS

 

1,1-Dichloro-3,3,5,5-tetraphenyl-1⁴,2,6,3⁵,5⁵-selenadiazadiphosphorin

M. Bolte

Formula: C₂₅H₂₂Cl₂N₂P₂Se.2CHCl₃

 

3-(4-Butoxycarbonylphenyloxycarbonyl)-xanthen-9-one

R. Centore, M. R. Ciajolo, A. Tuzi and H. R. Kricheldorf

Formula: C₂₅H₂₀O₆

 

Bis(para-phénolammonium) Diphosphate Monohydrate

E. H. Soumhi et T. Jouini

Formula: 2C₆H₈NO⁺,H₂P₂O₇^2-,H₂O

 

Strukturuntersuchungen einer anorganisch-organischen Spiroverbindung aus Cyclotriphosphazen und 9,10-Diaminophenanthren

U. Diefenbach, H. R. Allcock und K. B. Visscher

Formula: C₁₄H₁₀Cl₄N₅P₃.2C₄H₈O

 

The Water Inclusion Complex of a Fluorescent Diprotonated Anthracenocryptand

N. Lahrahar, P. Marsau, H. Bouas-Laurent, J.-P. Desvergne and F. Fages

Formula: C₃₀H₄₂N₂O₄²⁺.2ClO₄^-.H₂O

 

(Z)-5-(2-Thienylmethylene)-2,4-imidazolidinedione

J. C. Gallucci, N. Mathur and H. Shechter

Formula: C₈H₆N₂O₂S

 

Lumiflavinium (7,8,10-Trimethylisoalloxazinium) Nitrate

J. Wouters, G. Evrard and F. Durant

Formula: 2C₁₃H₁₂N₄O₂.4HNO₃

 

(E)-4-Nitrobenzaldehyde Phenylhydrazone

R. Velavan, K. Sivakumar and M. Anbu

Formula: C₁₃H₁₁N₃O₂

 

A Mesogenic Perfluorinated Compound

P. Kromm, H. Allouchi, J.-P. Bideau, M. Cotrait and H. T. Nguyen

Formula: C₂₉H₃₃F₇O₅

 

(1R*,3S*,4R*)-4-tert-Butyldiphenylsilyloxy-6,7-dimethoxy-1-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline

M. K. Urtiaga, M. I. Arriortua, I. Tellitu, D. Badía, E. Domínguez, L. Ochando, J. M. Amigó and T. Debaerdemaeker

Formula: C₃₄H₃₉NO₃Si

 

Five Salts of Berberine

B. M. Kariuki and W. Jones

Formula: C₂₀H₁₈NO₄⁺.Cl^-.4H₂O, C₂₀H₁₈NO₄⁺.Cl^-.C₂H₆O.-0.5H₂O, C₂₀H₁₈NO₄⁺.Br^-.2H₂O, C₂₀H₁₈NO₄⁺.I^-and 2C₂₀H₁₈NO₄⁺.SO₄^2-.7H₂O

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