Acta Crystallographica Section C

Crystal Structure Communications

Volume 54, Part 4 (April 1998)

Cover illustration: An Exact Quasi-Ferrodistortive Ordering in (N,N'-Di-n-butylthiourea-S)(N-salicylideneglycinato-O,N,O')copper(II), see Warda, pages 460-462. Displacement ellipsoids are shown at the 40% probability level for non-H atoms.

• cif-access (inorganic compounds)
• cif-access (organic compounds)
• inorganic compounds
• metal-organic compounds
• organic compounds
• addenda and errata

cif-access (inorganic compounds)

 

Luminescent Cu^I Clusters. Bis({tris[2-(2-methoxyethoxy)ethyl]amine}potassium) Hexaiodotetracuprate(I)

J. T. Mague

Synopsis: The [Cu₄I₆]^2- ion in this compound has twofold rotation symmetry while the seven-coordinate K⁺ ion has a geometry midway between capped octahedral and end-capped trigonal prismatic.

Formula: [K(C₁₅H₃₃NO₆)]₂[Cu₄I₆]

cif-access (organic compounds)

 

A Neutral Triphenylphosphine-Substituted closo-Decaborane: 1,6-(PPh₃)₂B₁₀H₈

H.-J. Yao, C.-H. Hu, J.-M. Dou, J. Sun, J.-D. Wei, Z.-E. Huang, R.-S. Jin and P.-J. Zheng

Synopsis: 1,6-Bis(triphenylphosphino)-closo-decaborane is substituted at an apical and an equatorial position of the closo-decaborane framework by triphenylphosphine groups with B-P bond lengths of 1.879 (6) and 1.925 (6) Å.

Formula: C₃₆H₃₈B₁₀P₂

 

The (1S,9aR) and (1S,9aS) Relative Configurations of 3-Fluoro-1,9a-dihydro-1-phenyl-1,2-bis(trifluoromethyl)-4H-quinolizin-4-one

D. C. Swenson, M. Yamamoto and D. J. Burton

Synopsis: Cycloaddition of (Z)-1,1,2,5,5,5-hexafluoro-4-phenyl-3-trifluoromethyl-1,3-pentadiene with pyridine gave the (1S,9aR) racemate as the major product and the (1S,9aS) racemate as the minor product, as determined by the crystal structures of the title compounds.

Formula: Two diastereomers of C₁₇H₁₀F₇NO

inorganic compounds

 

Re-Refinement of -(AlMnSi)

K. Sugiyama, N. Kaji and K. Hiraga

Synopsis: The structure of -(AlMnSi) is reproduced by the connection of two large atom clusters with icosahedral symmetry (a Mackay icosahedron and a double-Mackay icosahedron). Si and Mn atoms are proposed to constitute icosahedral arrangements in the atom clusters.

Formula: Al₄Mn_1.01Si_0.74

metal-organic compounds

 

Bis(2-chloro-1H-imidazol-3-ium) Hexachloroplatinate(IV), (C₃H₄ClN₂)₂[PtCl₆]

G. Valle and R. Ettorre

Formula: (C₃H₄ClN₂)₂[PtCl₆]

 

Bis(acetylacetonato-O,O')(⁴-trans-2,4-hexadiene)ruthenium(II) 1/6-Ethanol Solvate

E. Meléndez, R. Ilarraza, G. P. A. Yap and A. L. Rheingold

Formula: [Ru(C₅H₇O₂)₂(C₆H₁₀)].1/6C₂H₆O

 

catena-Poly[[(di-2-pyridyl-N-amine)(propionato-O,O')copper(II)]--nitrato-O:O']

S. Youngme, C. Pakawatchai and H.-K. Fun

Formula: [Cu(NO₃)(C₃H₅O₂)(C₁₀H₉N₃)]

 

Tris(N,N'-diethylthiourea-S)iodocopper(I) and Tris(N,N'-diethylthiourea-S)iodosilver(I)

H.-K. Fun, I. A. Razak, C. Pakawatchai, C. Khaokong, S. Chantrapromma and S. Saithong

Formula: [CuI(C₅H₁₂N₂S)₃] and [AgI(C₅H₁₂N₂S)₃]

 

Magnesium Sulfate Tetraurea Monohydrate

T. Todorov, R. Petrova, K. Kossev, J. Macícek and O. Angelova

Formula: [Mg(SO₄)(CH₄N₂O)₄(H₂O)]

 

[1,2-Bis(2-methoxyethyl-O)-⁵-cyclopentadienyl]trichlorozirconium(IV)

A. A. H. van der Zeijden, C. Mattheis and R. Fröhlich

Formula: [ZrCl₃(C₁₁H₁₇O₂)]

 

An Exact Quasi-Ferrodistortive Ordering in (N,N'-Di-n-butylthiourea-S)(N-salicylideneglycinato-O,N,O')copper(II)

S. A. Warda

Formula: [Cu(C₉H₇NO₃)(C₉H₂₀N₂S)]

 

2-[(2,5-Dimethoxyphenyl)(ferrocenyl)methyl]-3,6-dimethoxybenzonitrile

H. Zhang, Y. Lu and E. Biehl

Formula: [Fe(C₅H₅)(C₂₃H₂₂NO₄)]

 

Bis(1,10-phenanthroline-N,N')copper(II) Tetrathionate and Tris(1,10-phenanthroline-N,N')copper(II) Tetrathionate Pentahydrate

E. Freire, S. Baggio, R. Baggio and M. T. Garland

Formula: [Cu(C₁₂H₈N₂)₂(S₄O₆)] and [Cu(C₁₂H₈N₂)₃](S₄O₆).5H₂O

 

Bis[-N,N'-bis(salicylidene)-1,3-propanediaminato]bis(dimethylformamide)di(-nitrito)copper(II)dinickel(II)-Dimethylformamide (1/2)

M. N. Tahir, D. Ülkü, O. Atakol and O. Çakirer

Formula: [CuNi₂(NO₂)₂(C₁₇H₁₆N₂O₂)₂(C₃H₇NO)₂].2C₃H₇NO

 

Bis(tetra-n-butylammonium) Bis[(4-cyanophenyl)dithiocarbimato(2-)-S,S']nickel(II)

S. B. Schougaard, T. Pittelkow, F. Krebs, S. Larsen, H. O. Sørensen, D. R. Greve and T. Bjørnholm

Formula: (C₁₆H₃₆N)₂[Ni(C₈H₄N₂S₂)₂]

 

A cis-Dioxomolybdenum(VI) Complex, [Mo{N₂C₃H₃C(Me)₂O}₂(O)₂]

M. K. Ehlert, S. J. Rettig, A. Storr and J. Trotter

Formula: [Mo(O)₂(C₆H₉N₂O)₂]

 

Tetrakis[1-(1-phenylcyclohexyl)piperidinium] Tetrachloromanganate(II) Dichloride

N.-L. Chang, V. M. Lynch and S. H. Simonsen

Formula: (C₁₇H₂₆N)₄[MnCl₄]Cl₂

 

Diiodotetrakis[tris(dimethylamino)phosphine oxide-O]bismuth(III) Pentaiodide, [BiI₂{OP(NMe₂)₃}₄][I₅]

L. J. Farrugia, N. C. Norman and N. L. Pickett

Formula: [BiI₂(C₆H₁₈N₃OP)₄](I₅)

 

fac-Triazido(2,2'-bipyridine-N,N')(pyridine-N)cobalt(III)

Z.-N. Chen, A. Siu, C.-Y. Su, I. Williams and B.-S. Kang

Formula: [Co(N₃)₃(C₁₀H₈N₂)(C₅H₅N)]

 

Dipyridiniomethane cis-Dibromotetrafluoroosmate(IV), cis-[(C₅H₅ N)₂CH₂][OsBr₂F₄]

M. Höhling and W. Preetz

Formula: (C₁₁H₁₂N₂)[OsBr₂F₄]

 

(Phthalocyaninato)antimony Iodide

R. Kubiak and M. Razik

Formula: [Sb(C₃₂H₁₆N₈)]I

 

Dichloro[6,7-dimethyl-2,3-bis(2-pyridyl-N)quinoxaline]palladium(II) Monohydrate

F. Nicoló, M. Cusumano, M. L. Di Pietro, R. Scopelliti and G. Bruno

Formula: [PdCl₂(C₂₀H₁₆N₄)].H₂O

organic compounds

 

N-(2-Hydroxy-5-chlorophenyl)thiophenylacetamide

Ç. Tarimci, F. Ercan, M. Koçoglu and I. Ören

Formula: C₁₄H₁₂ClNO₂S

 

4-Nitro-1-(trimethylsilylethynyl)benzene

J. G. Garcia, B. Asfaw, A. Rodriguez and F. R. Fronczek

Formula: C₁₁H₁₃NO₂Si

 

Structure and Photochemistry of Four Adamantylacetophenones

T. Y. Fu, J. R. Scheffer, J. Trotter and J. Yang

Formula: C₁₈H₂₁FO, C₁₉H₂₁NO, C₂₀H₂₃NO and C₂₀H₂₄O₃

 

3-(4-Cyanophenyl)-2,2-dimethyl-1-phenylpropane-1-thione

T. Y. Fu, J. R. Scheffer and J. Trotter

Formula: C₁₈H₁₇NS

 

Mephentermine Hemisulfate Monohydrate: an Adrenergic Agent

R. Sengupta, R. Banerjee and J. K. Dattagupta

Formula: C₁₁H₁₈N⁺.0.5SO₄^2-.H₂O

 

D-Phenylglycine Hydrochloride

S. Ravichandran, J. K. Dattagupta and C. Chakrabarti

Formula: C₈H₁₀NO₂⁺.Cl^-

 

A Low-Temperature Phase of 2-Pyrrolidone

R. Goddard, O. Heinemann, C. Krüger, I. Magdó, F. Mark and K. Schaffner

Formula: C₄H₇NO

 

Polysulfonylamines. C. Bis(4-nitrobenzenesulfonyl)amine Monohydrate

O. Moers, P. G. Jones and A. Blaschette

Formula: C₁₂H₉N₃O₈S₂.H₂O

 

(R)- and (S)-2-(4-Bromophenyl)-2-oxoethyl 2-Methoxymethylpyrrolidine-1-dithiocarboxylate

M. Biedermann, H. Hartung, W. Dölling and P. Verjus

Formula: C₁₅H₁₈BrNO₂S₂

 

Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts

J. Breu, K.-J. Range, A. Weber and J. Sauer

Formula: C₂₉H₃₃N₅, C₂₉H₃₃N₅, C₂₉H₃₂N₄O and C₃₄H₃₉N₅

 

Pyridine N-Oxide and 4-Nitrophenol (1:1 Complex)

R. Moreno-Fuquen, R. H. De Almeida Santos and R. H. P. Francisco

Formula: C₅H₅NO.C₆H₅NO₃

 

2:1 Complex of 3-Picoline N-Oxide and Hydroquinone

R. Moreno-Fuquen, M. T. doP. Gambardella and J. Valderrama-N

Formula: 2C₆H₇NO.C₆H₆O₂

 

1:1 Complex of 2-Aminobenzoic Acid and 3-Methyl-4-nitropyridine N-Oxide

R. Moreno-Fuquen, R. H. De Almeida Santos and E. V. R. De Castro

Formula: C₇H₇NO₂.C₆H₆N₂O₃

 

Some 1,3-Dipolar Adducts from Benzodiazepine. I. Condensation of Nitrilimines with 2-Methyl-4-phenyl-1,5-benzodiazepines

M. Essaber, A. Baouid, A. Hasnaoui, M. Giorgi and M. Pierrot

Formula: C₂₆H₂₃N₅O₄ and C₂₇H₂₅ClN₄O₂

 

17-(4-Chlorobenzoyloxy)-3-methoxy-13-gona-1,3,5(10)-triene

A. Kuhl, D. Schollmeyer, M. Schürmann, H. Preut and W. Kreiser

Formula: C₂₅H₂₇ClO₃

 

P,P-Dichloro-N-(dichlorophosphinoyl)-P-(diisopropylamino)monophosphazene

T. Hökelek, Z. Kiliç and H. Dal

Formula: C₆H₁₄Cl₄N₂OP₂

 

p-Toluidinium 2'-Hydroxy-3'-methoxy-5'-flavonesulfonate Hydrate

G. Pèpe, J.-C. Wallet, A. Habsaoui and E. M. Gaydou

Formula: C₇H₁₀N⁺.C₁₆H₁₁O₇S^-.H₂O

 

Thiophene-2-carbaldehyde N-(2,4-Dinitrophenyl)-N-methylhydrazone

M. Aygün, S. Isik, N. Öcal, M. N. Tahir, S. Kaban and O. Büyükgüngör

Formula: C₁₂H₁₀N₄O₄S

 

2-Salicylideneamino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

Y. Elerman and A. Elmali

Formula: C₁₆H₁₄N₂OS

 

-(2H-1-Benzopyran-2-ylidene)--(methylthio)acetonitrile, a Chromylidene Acetonitrile

F. Pochat and P. L'Haridon

Formula: C₁₂H₉NOS

 

1,5,8,12-Tetrathiaspiro[6.6]tridecane

M. Barrot, G. Fabrias, F. Camps, E. Molins, A. Roig and W. Maniukiewicz

Formula: C₉H₁₆S₄

 

Phenolphthalein and 3',3''-Dinitrophenolphthalein

L. J. Fitzgerald and R. E. Gerkin

Formula: C₂₀H₁₄O₄ and C₂₀H₁₂N₂O₈

 

8-Hydroxyquinolinium-Salicylate-Salicylic Acid (1/1/1) Complex, C₉H₈NO⁺.C₇H₅O₃^-.C₇H₆O₃

J. R. Jebamony and P. Thomas Muthiah

Formula: C₉H₈NO⁺.C₇H₅O₃^-.C₇H₆O₃

 

1-(2-Naphthalenyl)-3-(3-nitrophenyl)-2-propen-1-one

S. Shanmuga Sundara Raj, M. N. Ponnuswamy, G. Shanmugam and S. Nanjundan

Formula: C₁₉H₁₃NO₃

 

4-Methyl-7,10-dihydrobenzo[h]coumarin and 4-Methyl-7,8,9,10-tetrahydro-8,9-epoxybenzo[h]coumarin

K. Chinnakali, H.-K. Fun, K. Sriraghavan and V. T. Ramakrishnan

Formula: C₁₄H₁₂O₂ and C₁₄H₁₂O₃

 

Two Dyotropomers Resulting from Irreversible Thermal (4+2) 2H Group Transfer

C. Wilson and J. A. K. Howard

Formula: C₁₆H₈Cl₁₀ and C₂₀H₁₆Cl₄

 

Two New Structures of 5-Nitrouracil

A. R. Kennedy, M. O. Okoth, D. B. Sheen, J. N. Sherwood and R. M. Vrcelj

Formula: C₄H₃N₃O₄ and C₄H₃N₃O₄.C₂H₆OS

 

3-Methylthio-1,2,4-triazine: a Comparison of Experimental and Theoretical Structures

M. H. Palmer, S. Parsons, S. Smith, A. J. Blake and M. F. Guest

Formula: C₄H₅N₃S

 

3',4''-Didecyl-2,2':5',2'':5'',2'''-quaterthiophene

S. Wang, F. Brisse, F. Bélanger-Gariépy, A. Donat-Bouillud and M. Leclerc

Formula: C₃₆H₅₀S₄

 

trans-2,3-Diiodo-2-butene-1,4-diol

M. S. Løiten, B. Dalhus, B. Fjærtoft and J. Klaveness

Formula: C₄H₆I₂O₂

 

9-(4-Dimethylaminophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione

V. K. Ganesh, D. Velmurugan, M. Bidya Sagar and P. Murugan

Formula: C₂₅H₃₂N₂O₂

 

L-Histidinol Phosphate Tetrahydrate: Redetermination at 110 and 240K

T. Lis, J. Mazurek and N. Okabe

Formula: C₆H₁₂N₃O₄P.4H₂O

addenda and errata

 

N-Phenyl-N-(phenylthioxomethyl)benzamide. Erratum

T. Y. Fu, J. R. Scheffer and J. Trotter

Formula:

 

Complex Network of Hydrogen Bonds in 3-Aminopyrazole-4-carboxylic Acid. Erratum

A. J. Dobson and R. E. Gerkin

Formula:

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