Acta Crystallographica Section C

Crystal Structure Communications

Volume 53, Part 1 (January 1997)

Cover illustration: A Tetrameric Macrocycle with 2,5-Dithio-1,3,4-thiadiazole Subunits, see Rugutt, Fronczek, Watkins & Pappalardo, pages 81-84. Displacement ellipsoids are plotted at the 75% probability level. S atoms are shown in yellow, N atoms are shown in blue, O atoms are shown in red and C atoms are shown in green.

• editorial
• inorganic compounds
• metal-organic compounds
• organic compounds
• international union of crystallography

editorial

 

Editorial

S.R. Hall

inorganic compounds

 

K₃Al₂As_1,92P_1,08O₁₂

H. Boughzala, A. Driss and T. Jouini

Synopsis: The structure of K₃Al₂As_1.92P_1.08O₁₂, prepared by solid-state reaction, contains AlO₄ and (As,P)O₄ tetrahedra which share corners to form a three-dimensional framework. The structure is related to those of the compounds M^IM^IIXO₄ and tridymite.

Formula: K₃Al₂As_1.92P_1.08O₁₂

 

NaInAs₂O₇

W. Belam, A. Driss and T. Jouini

Synopsis: The structure of NaInAs₂O₇, prepared by solid-state reaction, contains InO₆ octahedra and As₂O₇ diarsenate groups. These are linked by In-O-As bridges to form a three-dimensional framework containing cages within which the Na⁺ ions are located.

Formula: NaInAs₂O₇

 

Tetraammonium Hexahydrogenhexamolybdozincate(II) Hexahydrate

C. C. Allen, R. C. Burns, G. A. Lawrance, P. Turner and T. W. Hambley

Synopsis: The structure of (NH₄)₄(H₆ZnMo₆O₂₄).6H₂O is composed of (H₆ZnMo₆O₂₄)^4- anions, NH₄⁺ cations and water molecules linked by hydrogen bonds. The anion is formed from six edge-sharing octahedral MoO₆ units surrounding a central ZnO₆ octahedron with all metal ions lying in a common plane.

Formula: (NH₄)₄(H₆ZnMo₆O₂₄).6H₂O

 

Os₃Sn₁₅O₁₄, ein ternäres Oxid mit osmiumgefüllten Sn₆-Oktaedern

T. Söhnel und W. Reichelt

Synopsis: Os₃Sn₁₅O₁₄ is a metal-rich stannate containing Os-centered Sn₆ octahedra. The OsSn₆ units are linked to form triple chains in which the oxidation state of the linking Sn atoms is +1 and the oxidation state of the terminal Sn atoms is +2.

Formula: Os₃Sn₁₅O₁₄

 

The Triclinic Room-Temperature Modification of K₂MgWO₂(PO₄)₂

U. Peuchert, L. Bohatý and J. Schreuer

Synopsis: K₂MgWO₂(PO₄)₂ undergoes at least five phase transitions between room temperature and its melting point. The structure of the room-temperature form is triclinic pseudo-tetragonal (space group P1) and is composed of chains of alternately corner-linked [WO₆] and [MgO₆] octahedra connected via [PO₄] tetrahedra.

Formula: K₂MgWO₂(PO₄)₂

metal-organic compounds

 

A Mixed Cation Ternary Nitroprusside: [(CH₃)₄N][Na][Fe(CN)₅(NO)].2.5H₂O

J. J. Longridge, J. M. Rawson and J. E. Davies

Formula: (C₄H₁₂N)Na[Fe(CN)₅(NO)].2.5H₂O

 

Hexaaquacobalt(II) Bis(2-aminotoluene-4-sulfonate)

B. J. Gunderman, S. N. Dubey and P. J. Squattrito

Formula: [Co(H₂O)₆](C₇H₈NO₃S)₂

 

[2,2,2-Crypt-Na]₂[Cr₂(CO)₁₀]: a Chromium(-1) Carbonyl Structure with a Very Weakly Coordinating Cation

H. Borrmann, A. M. Pirani and G. J. Schrobilgen

Formula: [Na(C₁₈H₃₆N₂O₆)]₂[Cr₂(CO)₁₀]

 

Bisphenylbis[tetracarbonyl(hydrido)osmio]germane, Ph₂Ge[Os(CO)₄H]₂

W. K. Leong, F. W. B. Einstein and R. K. Pomeroy

Formula: [Os₂(H)₂(CO)₈{Ge(C₆H₅)₂}]

 

Two Chloro-Bridged Osmium Clusters

W. K. Leong, F. W. B. Einstein and R. K. Pomeroy

Formula: [Os₄Cl(H)₃(CO)₁₂] and [Os₅Cl(H)₃(CO)₁₄]

 

Phosphonoacetic Acid (H₃AP) and its Salts KH₂AP.H₂ O, (NH₄)H₂AP, LiH₂AP, NaH₂AP.2H₂ O, K₂HAP, (NH₄)₂HAP, Na₂HAP.2H₂ O, (NH₄)₃AP.2H₂ O and Na₃AP.10H₂O

T. Lis

Formula: C₂H₅O₅P, M⁺.C₂H₄O₅P^-nH₂O, 2M⁺.C₂H₃O₅P^2-nH₂O and 3M⁺.C₂H₂O₅P^3-nH₂O

 

Metal Complexes of trans-2,2,4,4-Tetrafluoro-1,3-di-tert-butyl-1,3-diphosphetane

P. G. Jones and C. Thöne

Formula: [W(C₁₀H₁₈F₄P₂)(CO)₅] and [Au₂Cl₂(C₁₀H₁₈F₄P₂)].2CH₂Cl₂

 

Tetrafluoroborate Salt of Tricarbonyl(2-methoxy-⁵-cyclohexadienyl)iron(II)

J. R. D. DeBord, T. A. George, C. R. Ross II and J. J. Stezowski

Formula: [Fe(C₇H₉O)(CO)₃]BF₄

 

A Dinuclear Molybdenum Complex: [{MoClO(pyridine)₂}₂(-S)₂].2C₅H₅N

J. Mizutani, H. Imoto and T. Saito

Formula: [Mo₂Cl₂(O)₂(S)₂(C₅H₅N)₄].2C₅H₅N

 

(Pyrazole-N²)[N-salicylidene-O-(S)-alaninato-²N,O]copper(II) Dihydrate and (Pyrazole-N²)[N-salicylidene-O-(R,S)-alaninato-²N,O]copper(II) Pyrazole Solvate

S. A. Warda, C. Friebel, J. Sivý, G. Plesch and M. Bláhová

Formula: [Cu(C₁₀H₉NO₃)(C₃H₄N₂)].2H₂O and [Cu(C₁₀H₉NO₃)(C₃H₄N₂)].C₃H₄N₂

 

Aquabis(salicylaldoximato)zinc

I. Potocnák, F. W. Heinemann, M. Rausch and D. Steinborn

Formula: [Zn(C₇H₆NO₂)₂(H₂O)]

 

Tribenzyltin Chloride

S. W. Ng

Formula: [SnCl(C₇H₇)₃]

 

Bis{-chloro-[2(3H)-benzothiazolethione](triphenylphosphine)copper(I)} Dihydrate

T. Shibahara, S. Kobayashi, D. Long and X. Xin

Formula: [Cu₂Cl₂(C₇H₅NS₂)₂(C₁₈H₁₅P)₂].2H₂O

 

Dichloro[N,N,N',N'-tetrakis(2-pyridylmethyl)ethylenediamine]samarium(III) Perchlorate

H.-Y. Jin, M. Akiba, K. Umakoshi, Y. Sasaki and K. Kabuto

Formula: [SmCl₂(C₂₆H₂₈N₆)]ClO₄

 

Bis[bis(triphenylphosphoranylidene)ammonium] Pentachlorofluoroosmate(IV) Hydrate, [(C₆H₅)₃P= N= P(C₆H₅)₃]₂[OsFCl₅].H₂O

C. Bruhn and W. Preetz

Formula: (C₃₆H₃₀NP₂)₂[OsCl₅F].H₂O

 

[1,2-Bis(diphenylphosphino)ethane-P,P']bis(-toluenethiolato-S)palladium(II), [Pd{Ph₂P(CH₂)₂PPh₂}(SCH₂Ph)₂]

W. Su, M. Hong, R. Cao and H. Liu

Formula: [Pd(C₇H₇S)₂(C₂₆H₂₄P₂)]

 

Bis[bis(triphenylphosphine)iminium] Hexamolybdate

S. Hoppe, J. L. Stark and K. H. Whitmire

Formula: (C₃₆H₃₀NP₂)₂[Mo₆O₁₉]

organic compounds

 

Anthracene-9-carboxylic Acid

L. J. Fitzgerald and R. E. Gerkin

Formula: C₁₅H₁₀O₂

 

N-Acetyl-L-glutamic Acid

A. J. Dobson and R. E. Gerkin

Formula: C₇H₁₁NO₅

 

The Donor-Acceptor Complex between 4,6,8-Trimethylazulene and Picric Acid

C. Näther, C. Arad and H. Bock

Formula: C₁₃H₁₄.C₆H₃N₃O₇

 

N,N'-Bis(4-methylbenzoyl)-p-phenylenediamine at 200K

N. Nagel, C. Näther and H. Bock

Formula: C₂₂H₂₀N₂O₂

 

A Tetrameric Macrocycle with 2,5-Dithio-1,3,4-thiadiazole Subunits

J. K. Rugutt, F. R. Fronczek, S. F. Watkins and S. Pappalardo

Formula: C₂₄H₃₂N₈O₄S₁₂

 

1,5-Dibromocycloocta-1,5-diene

A. Dávila, M. L. McLaughlin, F. R. Fronczek and S. F. Watkins

Formula: C₈H₁₀Br₂

 

1,2-Diphenyl-3-benzylguanidine Hydrochloride

L. Sudha, K. Subramanian, J. Senthil Selvan, Th. Steiner, G. Koellner, K. Ramdas and N. Srinivasan

Formula: C₂₀H₂₀N₃⁺.Cl^-

 

1,2-Bis(2,6-diethylphenyl)-3,3-(oxydiethyl)guanidine

L. Sudha, K. Subramanian, J. Senthil Selvan, Th. Steiner, G. Koellner, K. Ramdas and N. Srinivasan

Formula: C₂₅H₃₅N₃O

 

Hexakis(mercaptomethyl)benzene: a Structure Possessing Well Ordered Homodromic [SHS]₆ Interactions

P. R. Mallinson, D. D. MacNicol, K. L. McCormack, D. S. Yufit, J. H. Gall and R. K. Henderson

Formula: C₁₂H₁₈S₆

 

Methyl 4-Hydroxy-3-[4-methoxy-2-(methoxymethyleneoxy)phenyl]-2-{[4-methoxy-2-(methoxymethyleneoxy)phenyl]methyl}-5-oxo-2,5-dihydrofuran-2-carboxylate

T. R. Boehlow, N. P. Rath and C. D. Spilling

Formula: C₂₅H₂₈O₁₁

 

5-(4-Fluorophenyl)-1,8-dimethyl-2-(p-toluoylaminomethyl)-2,3-dihydro-1H-1,4-benzodiazepine Monohydrate

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

Formula: C₂₆H₂₆FN₃O.H₂O

 

Racemic 1,2,4-Trimethylurazole

C. Y. Meyers, H. G. Lutfi, Y. Hou and P. D. Robinson

Formula: C₅H₉N₃O₂

 

2-Anilino-4,6-dimethylpyridine-3-carbonitrile, an Intermediate in the Synthesis of 5-Aminobenzo[b][1,8]naphthyridines

H. Mefetah, M. Giorgi and P. Brouant

Formula: C₁₄H₁₃N₃

 

(-)-cis-Pinononic Acid: Hydrogen-Bonding Pattern of a -Keto Acid

M. L. Coté, H. W. Thompson and R. A. Lalancette

Formula: C₉H₁₄O₃

 

3,5-Dicarboxy-2,6-dimethyl-4-(3-nitrophenyl)pyridinium Nitrate Monohydrate

K. R. Rowan and E. M. Holt

Formula: C₁₅H₁₃N₂O₆⁺.NO₃^-.H₂O

 

A Possible Synthetic Precursor to the Tropoloisoquinoline Alkaloid Pareirubrine A

M. G. Banwell, D. C. R. Hockless and S. C. Peters

Formula: C₂₁H₂₃NO₈.CHCl₃

 

(Z)-3-Phenyl-2-(trifluoromethyl)prop-2-enoic Acid: a Hydrogen-Bonded Dimer

D. C. Swenson, H. Lu and D. J. Burton

Formula: C₁₀H₇F₃O₂

 

2-(2-Thiazolylhydrazono)indan-1,3-dione

S. Özbey, A. Temel, B. H. Özgün and N. Ertan

Formula: C₁₂H₇N₃O₂S

 

(5S)-3-Phenyl-5-[(6R,7R,14R)-1,8,13,16-tetraoxadispiro[5.0.5.4]hexadecan-14-yl]-4,5-dihydroisoxazole: the Major Adduct Resulting from Cycloaddition of Benzonitrile Oxide to (6R,7R,14S)-14-Vinyl-1,8,13,16-tetraoxadispiro[5.0.5.4]hexadecane

A. J. Blake, R. O. Gould, R. M. Paton and C. J. Todd

Formula: C₂₁H₂₇NO₅

 

p-Nitrophenyl 2,3,4,6-Tetra-O-acetyl--D-glucopyranoside

K. A. Abboud, S. S. Toporek and B. A. Horenstein

Formula: C₂₀H₂₃NO₁₂

 

5-Deoxy-5-C-(5-ethoxycarbonyl-1,2,3-triazol-1-yl)-1,2-O-isopropylidene--D-xylofuranose

D. Horton, B. R. Levine, P. Norris, R. L. Luck and J. V. Silverton

Formula: C₁₃H₁₉N₃O₆

 

A Polymorph of Bis(2-nitrophenyl) Trisulfide

P. J. Cox and J. L. Wardell

Formula: C₁₂H₈N₂O₄S₃

 

1-(4-Bromophenyl)-2-fluoroethanone (2,4-Dinitrophenyl)hydrazone Containing a Particularly Short Fluorine-Hydrogen Bond

S. J. Borwick, J. A. K. Howard, C. W. Lehmann and D. O'Hagan

Formula: C₁₄H₁₀BrFN₄O₄

 

6-Oxo-6-phenyl-6-phospha-3,9-dithiabicyclo[9.4.0]pentadeca-1(11),12,14-triene

R. Kivekäs, J. A. Muñoz, L. Escriche, J. Casabó and R. Sillanpää

Formula: C₁₈H₂₁OPS₂

 

Diguanidinium Hexafluorosilicate

A. Waskowska

Formula: 2CH₆N₃⁺.SiF₆^2-

 

2-Methylperimidinium Acetate Monohydrate

S. Patnaik, K. Vishnumurthy, M. Sridhar, S. Chandrasekhar, K. Usha and T. N. Guru Row

Formula: C₁₂H₁₁N₂⁺.C₂H₃O₂^-.H₂O

 

N,N'-Bis(1-pyrenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

K. Kubo, N. Kato and T. Sakurai

Formula: C₄₆H₄₆N₂O₄

 

L-Histidinol Phosphate Tetrahydrate

T. Suga and N. Okabe

Formula: C₆H₁₂N₃O₄P.4H₂O

 

Complex of a Lisuride Derivative and (S)-Naproxen

F. Bachechi, M. Flieger and M. Sinibaldi

Formula: C₂₃H₃₁N₄O⁺.C₁₄H₁₃O₃^-.C₁₄H₁₄O₃.C₃H₈O.H₂O

 

1,5-Bis[4,4-dimethyl-1-(4-methylphenyl)-5-(1-piperidinio)-1-penten-3-ylidene]carbonohydrazide Dichloride Methanol Solvate

J. Yang, P. Kumar, J. R. Dimmock and J. W. Quail

Formula: C₃₉H₅₈N₆O²⁺.2Cl^-.CH₄O

 

5-(4-Hydroxyphenyl)tetrazole-Water (2/3)

H. Gallardo, I. M. Begnini and I. Vencato

Formula: C₇H₆N₄O.1.5H₂O

 

1,2-Dihydronaphtho[3,4-b]cyclopenteno[1,2-e]-4H-pyran-4-one

Z. Cao, X. Cao, D.-C. Zhang, F. Xu and K. Yu

Formula: C₁₆H₁₄O₂

international union of crystallography

 

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