Acta Crystallographica Section C

Crystal Structure Communications

Volume 51, Part 3 (March 1995)

Cover illustration: \[1,2-Bis(diphenylphosphino)ethane-P,P'\](4-morpholine-carbodithioato-S,S')nickel({II}) Perchlorate Dichloromethane Solvate, see Akilan, Sivakumar, Venkatachalam, Ramalingam, Chinnakali & Fun, pages 368--370. The two different orientations of the morpholine ring, related by a rotation of 180°, are shown. The displacement ellipsoids are shown at the 30% probability level.

• inorganic compounds
• metal-organic compounds
• organic compounds

inorganic compounds

 

SrKB₅O₉

J.-M. Tu and D. A. Keszler

Synopsis: The crystalline structure of the phase SrKB₅O₉ exhibits a condensation of B₅O₁₁ units to form an undulating polyborate network that is also observed in the structure of CaNaB₅O₉. The Sr and K atoms bind adjacent networks together through interaction with eight and nine O atoms, respectively.

Formula: SrKB₅O₉

 

Co₁₀Ge₃O₁₆

J. Barbier

Synopsis: The structure of Co₁₀Ge₃O₁₆ corresponds to a regular inter-growth along the c_hex axis of its rhombohedral cell of triple spinel-type Co₇Ge₂O₁₂ layers and single rock-salt-type Co₃GeO₄ layers.

Formula: Co₁₀Ge₃O₁₆

 

Nickel Bistrifluorostannate(II) Hexahydrate, [Ni(H₂O)₆](SnF₃)₂

I. Abrahams, J. D. Donaldson and Z. I. Khan

Synopsis: The structure of Ni(SnF₃)₂.6H₂O contains discrete trigonal pyramidal [SnF₃]^- complex anions and [Ni(H₂O)₆]²⁺ complex cations in a 2:1 ratio. The structure is unusual in that it shows no evidence of the polymeric bridging common in stannous fluorides.

Formula: [Ni(H₂O)₆](SnF₃)₂

 

Strontium Diiron(III) Pyrophosphate

A. Boutfessi, A. Boukhari and E. M. Holt

Synopsis: Strontium diiron(III) pyrophosphate contains octahedrally coordinated Fe^III and octacoordinate Sr atoms in columns separated by pyrophosphate groups.

Formula: SrFe₂(P₂O₇)₂

 

Eu₂(PO₃H)₃

J.-D. Foulon, J. Durand, L. Cot, N Tijani and M. Rafiq

Synopsis: The structure of Eu₂(PO₃H)₃ contains three independent phosphite anions. One Eu³⁺ cation is eight-coordinate whereas the other is only seven-coordinate. EuO₈ dodecahedra and EuO₇ monocapped trigonal prisms share corners to form infinite layers parallel to the [101] direction.

Formula: Eu₂(PO₃H)₃

metal-organic compounds

 

Triclinic Mg₂B₂O₅

G.-C. Guo, W.-D. Cheng, J.-T. Chen, J.-S. Huang and Q.-E. Zhang

Synopsis: The structure of Mg₂B₂O₅ is based on Mg₄O₁₈ tetramers, composed of four octahedra linked by three shared edges, which are connected by the sharing of four OO edges to form chains extending along (001). The B atoms hold the chains together and form B₂O₅ groups.

Formula: Mg₂B₂O₅

 

Hydrogen-Bonded Self-Assembly of Tris(2-ammonioethyl)amine Molybdate Hydrate, 4[N(CH₂CH₂NH₃)₃]³⁺.6[MoO₄]^2-.6H₂O

E. C. Alyea, G. Ferguson and Z. Xu

Formula: 4(C₆H₂₁N₄)6[MoO₄].6H₂O

 

Cs₆Cl₃[Fe(CN)₆].H₂O: a Mixed-Anion Salt

M. V. Capparelli and J. Murgich

Formula: Cs₆Cl₃[Fe(CN)₆].H₂O

 

Aquabis(2,2'-bipyridine)chloromanganese(II) Perchlorate

X.-M. Chen, K.-L. Shi, T. C. W. Mak and B.-S. Luo

Formula: [MnCl(C₁₀H₈N₂)₂(H₂O)]ClO₄

 

[Ru(⁵-C₅H₅)(⁴-C₅H₄O){As(CH₃)₃}]PF₆ and [Ru(⁵-C₅H₅)(⁴-C₅H₄O){As(C₆H₅)₃}\]PF₆

K. Kirchner, R. Schmid and K. Mereiter

Formula: [Ru(C₅H₅)(C₅H₄O){As(CH₃)₃}]PF₆and

 

[CpMoCl(PMe₃)₃][BF₄] and [Cp*MoCl(PMe₃)₃][PF₆]

J. C. Fettinger, H.-B. Kraatz, R. Poli and A. L. Rheingold

Formula: [MoCl(C₅H₅)(C₃H₉P)₃][BF₄]and [MoCl(C₁₀H₁₅)(C₃H₉P)₃][PF₆]

 

[1,2-Bis(diphenylphosphino)ethane-P,P'](4-morpholinecarbodithioato-S,S')nickel(II) Perchlorate Dichloromethane Solvate

R. Akilan, K. Sivakumar, V. Venkatachalam, K. Ramalingam, K. Chinnakali and H.-K. Fun

Formula: [Ni(C₅H₈NOS₂)(C₂₆H₂₄P₂)]ClO₄.CH₂Cl₂

 

fac-[Co(C₅H₄NOS)₃].H₂O. 1/2CH₃OH and fac-[Co(C₅H₄NOS)₃]. 1/3CH₃OH

Y.-J. Xu, B.-S. Kang, X.-T. Chen and L.-R. Huang

Formula: [Co(C₅H₄NOS)₃].H₂O.1 \over 2CH₄Oand [Co(C₅H₄NOS)₃].1 \over 3CH₄O

 

Two-Dimensional Open-Frame Host Structure of the Inclusion Compound [Cd(tenH)₂{Ni(CN)₄}₂].4C₆H₅NH₂ (ten = 1,4-Diazabicyclo[2.2.2]octane)

H. Yuge and T. Iwamoto

Formula: [Cd(C₆H₁₃N₂)₂{Ni(CN)₄}₂].4C₆H₇N

 

Complexe entre un Carboxylate de Rhodium(II) et un Dérivé de la [1,4]Thiazépine: Synthèse et Structure Cristalline de Tétrakis(-acétato)bis{[11-aminodibenzo[b,f][1,4]thiazépine]rhodium(II)}(Rh-Rh)

P. Lemoine, A. Tomas, B. Viossat, Y. Mettey et J.-M. Vierfond

Formula: [Rh₂(C₂H₃O₂)₄(C₁₃H₁₀N₂S)₂]

 

Metal-Hydroxy Ribbons in Pb(OH)(NCS)

V. Adovasio and M. Nardelli

Formula: Pb(OH)(NCS)

 

A Novel Structure of (L-Aspartato)(1,10-phenanthroline)copper(II) Hydrate

R. F. Baggio, R. Calvo, C. Brondino, M. T. Garland, A. M. Atria and E. Spodine

Formula: [Cu(C₄H₅NO₄)(C₁₂H₈N₂)].3.5H₂O

 

Complexation with Ligands Containing a Dipyridylmethane Unit. Structures of a Free Ligand and Two Copper(II) Complexes

A. Ertan, I. Csöregh, H. Adolfsson and C. Moberg

Formula: C₁₆H₁₆N₂O₅.H₂O, [Cu(C₂₁H₁₇N₃O₅)(H₂O)]and [Cu₂(C₂₆H₁₉N₃O₆)₂].H₂O

 

Bis(benzoato-O)bis(thiourea-S)zinc(II)

J. Cernák, I. Adzimová, F. Gérard and A.-M. Hardy

Formula: [Zn(C₇H₅O₂)₂(CH₄N₂S)₂]

 

Sodium Bumetanide Trihydrate

M. Saviano, R. Fattorusso, A. Lombardi, L. Zaccaro and C. Pedone

Formula: Na⁺.C₁₇H₁₉N₂O₅S^-.3H₂O

 

Trimethylammonium Tin Sulfide

K. Tan, Y. Ko and J. B. Parise

Formula: (C₃H₁₀N)₂[Sn₃S₇].0.72H₂O

 

8-(Ph₂PCH₂CH₂PPh₂)-8,7-nido-RhSB₉H₁₀.2CH₂Cl₂

K. J. Adams, T. D. McGrath and A. J. Welch

Formula: [Rh(B₉H₁₀S)(C₂₆H₂₄P₂)].2CH₂Cl₂

 

Lithium and Caesium Hydrogen Glutarate

A. L. Macdonald, A. Murray, A. A. Freer and K. Henderson

Formula: Li⁺.C₅H₇O₄^- and Cs⁺.C₅H₇O₄^-

 

New Crystal Data for [Hg(SC₂H₅)₂]

K. A. Fraser, W. Clegg, D. C. Craig, M. L. Scudder and I. G. Dance

Formula: [Hg(C₂H₅S)₂]

 

Tris(N,N-diethyldithiocarbamato-S,S')phenyltin

E. Kellö, V. Vrábel, I. Skacáni and J. Holecek

Formula: [Sn(C₅H₁₀NS₂)₃(C₆H₅)]

organic compounds

 

The S_P Diastereomer of a Dinucleoside Methylphosphonate Methanol Solvate Containing Thymine and N³-Methyl-4-thiothymine Bases

T. Szabó, J. Stawinski, S. Carlson and R. Norrestam

Formula: C₂₂H₃₁N₄O₁₀PS.CH₄O

 

9,11-Secogorgost-5-en-9-one-3,11-diol, a Marine Steroid from the Sea Whip Pseudopterogorgia hummelinkii

L. W. Schultz, J. Clardy and L. Lessinger

Formula: C₃₀H₅₀O₃

 

Disorder in n-Alkyl Ammonium Dihydrogen Phosphate Crystals: C_nH_{2n + 1}NH₃⁺.H₂PO₄^-

A. Waskowska and J. Kroupa

Formula: C₇H₁₈N⁺.H₂PO₄^- and C₈H₂₀N⁺.H₂PO₄^-

 

Tris(3,5-dimethylpyrazol-1-yl)methylsilane

S. Vepachedu, R. T. Stibrany, S. Knapp, J. A. Potenza and H. J. Schugar

Formula: C₁₆H₂₄N₆Si

 

An Oxazolidinone Derivative of D-Furanose

G. Y. S. K. Swamy, K. Ravikumar, A. V. Rama Rao, M. K. Gurjar and T. Ramadevi

Formula: C₂₆H₂₉NO₇

 

3,5-Dinitro-4-(4-trifluoromethylphenoxy)toluene, Conformationally Related to Thyroid Hormones

J. D. McKinney, S. C. Agarwal, W. T. Padgett, G. R. Lambert, P. Singh and S. Nesnow

Formula: C₁₄H₉F₃N₂O₅

 

N,N-Diethyl-4-(2-nitroethenyl)phenylamine (DEANST), C₁₂H₆N₂O₂

B. Suchod and P. Baldeck

Formula: C₁₂H₁₆N₂O₂

 

9-(4-Methyl-1-piperazinyl)-9,10-dihydro-9,10-ethanoanthracene Hydrochloride Dihydrate (Trazitilin)

P. Brouant and M. Giorgi

Formula: C₂₁H₂₄N₂.HCl.2H₂O

 

Duclauxin Ethyl Acetate Solvate, 2C₂₉H₂₂O₁₁.C₄H₈O₂

F. O. Bryant, H. G. Cutler, M. C. Burla and M. G. Newton

Formula: 2C₂₉H₂₂O₁₁.C₄H₈O₂

 

A Lamotrigine Analogue: 3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine Methanol Solvate

R. W. Janes and R. A. Palmer

Formula: C₉H₈FN₅.CH₄O

 

Thiooxalic Acid 2-Amide-1-hydrazide-2-hydrazone

F. W. Heinemann, H. Hartung, H. Dehne and A. Scheunemann

Formula: C₂H₇N₅S

 

1,3,5,7-Tetrakis(trifluoromethyl)-2,6-dioxabicyclo[3.3.0]octane-3,7-diol

C. George and A. Purdy

Formula: C₁₀H₆F₁₂O₄

 

Ebrotidine

Ll. Anglada, J. Fernández, J. A. Ortiz and X. Solans

Formula: C₁₄H₁₇BrN₆O₂S₃

 

The Diels-Alder Reaction Product of -Ionone and Maleic Anhydride

K. Ravikumar, K. Chandra Mohan, T. Shekharam and J. S. Yadav

Formula: C₁₇H₂₂O₄

 

Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). II. Structure of a -Epoxy Steroid

M. Bidya Sagar, K. Ravikumar, A. V. Rama Rao, M. Machender Reddy and A. K. Singh

Formula: C₂₃H₃₀O₄

 

Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids

G. Ferguson, J. F. Gallagher and A. J. McAlees

Formula: C₂₀H₃₀O₈, C₁₂H₂₂O₆ and C₁₅H₂₈O₆

 

Hindered Cavity-Shaped N-Oxides

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

Formula: C₁₇H₁₃NO₂ and C₁₈H₁₅NO₂

 

4-Methoxy-11-oxo-5-azabenzo[b]fluorene N-Oxide and its Free Base

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

Formula: C₁₇H₁₁NO₃ and C₁₇H₁₁NO₂

 

A Baccatin III Derivative

A. Chiaroni, D. Guénard, F. Guéritte-Voegelein, F. Khuong-Huu, S. Py, C. Riche and A. Wahl

Formula: C₂₆H₄₄O₈Si

 

The endo-endo-syn Diels-Alder Diadduct of Tetrachlorodimethoxycyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene

J. G. Garcia and F. R. Fronczek

Formula: C₂₂H₂₄Cl₈O₆

 

4-[(Trimethylsilyl)methyl]tetracyclo[5.4.0.0^6,10.0^9,11]undec-3-yl 3,5-Dinitrobenzoate

M. Lautens, A. J. Lough and W. Tam

Formula: C₂₂H₂₈N₂O₆Si

 

3-(5-Oxo-L-prolyl)-L-thiazolidine-4-carboxylic Acid

D. J. Ayala, G. Bombieri, T. Perosino and R. Stradi

Formula: C₉H₁₂N₂O₄S

 

2-(p-Ethoxyphenyl)-5-hexyl-1,3-dithiane, C₁₈H₂₈OS₂

M. Miyake and Y. Haramoto

Formula: C₁₈H₂₈OS₂

 

(2S,3R,4S)-4-(1,1-Dimethylethoxycarbonylamino)-2,3-epoxy-5-phenylpentanoic Acid Ethyl Ester

H. P. Weber, D. Scholz, H. Schmidt and H. Gstach

Formula: C₁₈H₂₅NO₅

 

Cyclic (1R,3R)-1,3-Dimethyltrimethylene [(5R)-2-Hydroxy-5-methyl-5-(2-methyl-1,3-dioxolan-2-yl)-1-cyclohexen-1-yl]phosphonate, a Stable Enol

M. A. Capron, J. An, D. C. Swenson and D. F. Wiemer

Formula: C₁₆H₂₇O₆P

 

An Imidazo[1,2-a]pyrazine Derivative, C₁₈H₁₉N₃

D. S. Parihar, R. Bohra, R. N. Prasad and P. N. Nagar

Formula: C₁₈H₁₉N₃

 

Struktur der Molekularverbindung von 3,5-Dinitroindazol und Piperidin. 39. Azole

A. Gzella und U. Wrzeciono

Formula: 2C₅H₁₂N⁺.2C₇H₃N₄O₄^-

 

A 1:1 Adduct of 4,6-Dimethylpyrimidine-2(1H)-thione and Thiourea

S. Seth and H. Sur

Formula: C₆H₈N₂S.CH₄N₂S

 

1-Diphenylmethylene-4-(triphenylmethyl)cyclohexa-2,5-diene Benzene Solvate

L. N. Bochkarev, N. E. Molosnova, L. N. Zakharov, G. K. Fukin, A. I. Yanovsky and Y. T. Struchkov

Formula: C₃₈H₃₀.C₆H₆

 

Microbial Transformation of a Dihydroxybiphenyl

M. Sondossi, B. A. Lloyd, D. Bariault, M. Sylvestre and M. Simard

Formula: C₁₂H₁₂O₄

 

A Stable Ozonide

J. S. Buckleton, G. R. Clark and C. E. F. Rickard

Formula: C₁₉H₁₄O₇

 

A [5.5.5.5]Fenestrane Derivative

R. Guidetti-Grept, B. Herzog, B. Debrunner, V. Siljegovic, R. Keese, H.-M. Frey, A. Hauser, O. König, S. Lüthi, J. Birrer, D. Nyffeler, M. Förtsch and H.-B. Bürgi

Formula: C₁₇H₂₂O₅

 

Dimethyldiphenylphosphonium Iodide, [PPh₂(CH₃)₂]⁺.I^-, and Dimethyldiphenylphosphonium Bromide, [PPh₂(CH₃)₂]⁺.Br^-

R. J. Staples, T. Carlson, S. Wang and J. P. Fackler Jnr

Formula: C₁₄H₁₆P⁺.I^- and C₁₄H₁₆P⁺.Br^-

 

Methyl Austrocorticinate

A. S. Cotterill, R. W. Gable and M. Gill

Formula: C₂₀H₁₈O₇

 

Diels-Alder Products of the Alkaloid (-)-Thebaine with -Chloroacrylnitrile and 1-Methoxy-1,3-cyclohexadiene with Tetracyanoethene

D. Schollmeyer, D. Keilhofer and U. Pindur

Formula: C₂₂H₂₃ClN₂O₃ and C₁₃H₁₀N₄O

 

N²-Cyano-N¹-isopropyl-N³-[4-(3-methylphenylamino)-3-pyridylsulfonyl]guanidine

L. Dupont, B. Masereel, P. de Tullio, B. Pirotte and J. Delarge

Formula: C₁₇H₂₀N₆O₂S

 

Nimesulide

L. Dupont, B. Pirotte, B. Masereel, J. Delarge and J. Geczy

Formula: C₁₃H₁₂N₂O₅S

 

Methyl 3-[2-(tert-Butylthio)phenyl]propenoate

A. J. Blake, J. I. G. Cadogan, F. J. J. Dijksma, R. O. Gould, A. D. MacPherson and H. McNab

Formula: C₁₄H₁₈O₂S

 

A Solvate of the Diacetate Salt of the Octaethyltetraphenylporphyrin Dication, H₄OETPP²⁺.2CH₃COO^-.3CH₃COOH.CH₂Cl₂

K. M. Barkigia, J. Fajer, M. D. Berber and K. M. Smith

Formula: C₆₀H₆₄N₄²⁺.2C₂H₃O₂^-.3C₂H₄O₂.CH₂Cl₂

 

5-Fluoro-8,8-dimethyl-7-oxa-3,9-diazabicyclo[4.3.0]nona-5,9-diene-2,4-dione (C₈H₇FN₂O₃): a Novel Product from Pyrolysis of N-Isopropylidene-O-tetrafluoro-4-pyridylhydroxylamine in Glass

R. E. Banks, W. J. Jondi, R. G. Pritchard and A. E. Tipping

Formula: C₈H₇FN₂O₃

 

2-Chloro-6-dimethylamino-3,5-pyridine-dicarbaldehyde

L.-L. Lai, L.-K. Liu, M.-J. Shiao and Y.-S. Wen

Formula: C₉H₉ClN₂O₂

 

6-Ethyl-9-fluoro-6,7-dihydro-8-(4-hydroxy-piperidino)-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic Acid

K. Hashimoto, N. Fujita, T. Tanaka and M. Kido

Formula: C₂₁H₂₅FN₂O₄

 

Organophosphorus Insecticides. 16. Azinphos Ethyl: O,O-Diethyl S-{[4-Oxo-1,2,3-benzotriazin-3(4H)-yl]methyl} Phosphorodithioate, C₁₂H₁₆N₃O₃PS₂

R. G. Baughman and J. L. Allen

Formula: C₁₂H₁₆N₃O₃PS₂

 

2'-(Diphenylphosphino)propiophenone, a Functionalized Tertiary Phosphine

B. T. Rasley, M. Rapta and R. J. Kulawiec

Formula: C₂₁H₁₉OP

 

2,6-Diphenyl-3-vinylpyridine

W. Clegg, C. T. Hewkin and R. F. W. Jackson

Formula: C₁₉H₁₅N

 

2,2-Dimethyl-5-(2-methyl-4-phenyl-3,4-diaza-2-butenylidene)-1,3-dioxane-4,6-dione

A. J. Blake and H. McNab

Formula: C₁₅H₁₆N₂O₄

 

(2RS)-4,4-Dimethyl-2-[(1SR)-1-phenylethyl]-1-pyrrolidinol

G. Bernardinelli, W. Oppolzer and A. C. Spivey

Formula: C₁₄H₂₁NO

 

3-(2-Benzothiazolyl)-7-(diethylamino)coumarin

J. P. Jasinski and E. S. Paight

Formula: C₂₀H₁₈N₂O₂S

 

3-{2-[4-(4-Fluorobenzoyl)piperidino]ethyl}-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (Pirenperone)

N. M. Blaton, O. M. Peeters and C. J. De Ranter

Formula: C₂₃H₂₄FN₃O₂

 

Tetraethylammonium Perchlorate at 150 K

J. Kivikoski, J. A. K. Howard, P. Kelly and D. Parker

Formula: C₈H₂₀N⁺.ClO_4^-

 

N-[2(R)-Bromopropanoyl]-(2S)-proline Methyl Ester

S. L. Ingham and M. M. Lenman

Formula: C₉H₁₄BrNO₃

 

A Thiourea-1,5-Cyclooctadiene Clathrate at 173 K

I. Garneau, S. Raymond and F. Brisse

Formula: 3CH₄N₂S.C₈H₁₂

 

1-Cyclohexyl-2-cyclohexylamino-5(4H)-imidazolone

R. Anulewicz, D. Fiertek and J. Izdebski

Formula: C₁₅H₂₅N₃O

 

1-[4-(Dimethylamino)phenyl]-3-(1-pyrenyl)hexamethyltrisilane

L. Van Meervelt

Formula: C₃₀H₃₇NSi₃

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