Acta Crystallographica Section C

Crystal Structure Communications

Volume 53, Part 7 (July 1997)

Cover illustration Cover illustration: 1,4,8,11-Tetrakis(diiodine)-1,4,8,11-tetrathiacyclotetradecane, see Blake, Li, Lippolis and Schröder, pages 886-888. Displacement ellipsoids are shown at the 70% probability level for non-H atoms and H atoms are shown as spheres of arbitrary radii.

cif-access (metal-organic compounds)

Acta Cryst. (1997). C53, IUC9700008    [ doi:10.1107/S0108270197099484 ]

Bis[bis(triphenylphosphine)iminium] Di-[bold mu]-thio-bis[(pentasulfido)ferrate(III)]

J. W. van Hal and K. H. Whitmire

Formula: (C36H30NP2)2[Fe2S12]

inorganic compounds

Acta Cryst. (1997). C53, 827-829    [ doi:10.1107/S0108270197003089 ]

Ba3Zr2S7, the Low-Temperature Polymorph

Y.-C. Hung, J. C. Fettinger and B. W. Eichhorn

Synopsis: The low-temperature polymorph of Ba3Zr2S7 has P42/mnm crystal symmetry and contains buckled corner-sharing ZrS6 octahedra, in contrast to the linear ZrS6 octahedra found in the high-temperature I4/mmm polymorph.

Formula: Ba3Zr2S7

Acta Cryst. (1997). C53, 829-830    [ doi:10.1107/S010827019700303X ]

Hexa-[bold mu]-nitrato-[bold mu]4-oxo-tetraberyllium

M. J. Haley, S. C. Wallwork, B. Duffin, N. Logan and C. C. Addison

Synopsis: The determination of the structure of [Be4O(NO3)6] confirms the expectation of a molecular structure similar to that of basic beryllium acetate.

Formula: [Be4O(NO3)6]

Acta Cryst. (1997). C53, 831-833    [ doi:10.1107/S0108270197000449 ]

Dicalcium Sodium Fluoride Silicate

Ö. Andaç, F. P. Glasser and R. A. Howie

Synopsis: The pseudo-hexagonal structure of Ca2NaF(SiO4) is derived from that of Ca3SiO5 with fluorine replacing the set of O atoms not bonded in SiO4 isolated tetrahedra.

Formula: Ca2NaF(SiO4)

Acta Cryst. (1997). C53, 833-836    [ doi:10.1107/S0108270196015454 ]

Room-Temperature Form of Manganese Hexafluorosilicate Hexahydrate: a New Model with Submicroscopic Twinning

A. Torii, K. Ogawa, H. Tamura and K. Osaki

Synopsis: A new model of MnSiF6.6H2O is presented which reproduces the `weak' h0l reflections not explained with the `antiphase domain' model by Chevrier [Acta Cryst. (1991), B 47, 224-228]. Good agreement for the `weak' reflections was obtained by assuming a sort of submicroscopic twinning.

Formula: MnSiF6.6H2O

metal-organic compounds

Acta Cryst. (1997). C53, 837-838    [ doi:10.1107/S0108270196013947 ]


D. J. Williams, T. A. Jones, E. D. Rice, K. J. Davis, J. A. Ritchie, W. T. Pennington and G. L. Schimek

Formula: [CoCl2(C5H8N2Se)2]

Acta Cryst. (1997). C53, 838-840    [ doi:10.1107/S0108270197002618 ]

[bold pi]-Stacking of [Pt(2,2'-bipyridine)(ethylenediamine)]2+ as its Hexafluorophosphate Salt

M. Kato, C. Kosuge, S. Yano and M. Kimura

Formula: [Pt(C2H8N2)(C10H8N2)](PF6)2

Acta Cryst. (1997). C53, 840-843    [ doi:10.1107/S010827019700259X ]

A Water-Bridged Dinuclear Complex of Cobalt(II), Pyridine and Stearic Acid

R. W. Corkery and D. C. R. Hockless

Formula: [Co2(C18H35O2)4(C5H5N)4(H2O)]

Acta Cryst. (1997). C53, 843-845    [ doi:10.1107/S0108270196007524 ]

cyclo-Tetrakis([bold mu]-oxo)tetrakis[iodo([bold eta]5-methylcyclopentadienyl)titanium(IV)]

C. O. Kienitz, C. Thöne and P. G. Jones

Formula: [Ti4I4O4(C6H7)4]

Acta Cryst. (1997). C53, 845-848    [ doi:10.1107/S0108270197002102 ]

Polysulfonylamines. LXXXIII. Heptaaquacalcium 1,2-Benzenedisulfonimide

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

Formula: [Ca(H2O)7](C6H4NO4S2)2

Acta Cryst. (1997). C53, 848-850    [ doi:10.1107/S010827019700262X ]


J.-M. Lo, H.-H. Yao, F.-L. Liao, S.-L. Wang and T.-H. Lu

Formula: [Cu(C18H18N2O2)]

Acta Cryst. (1997). C53, 850-852    [ doi:10.1107/S0108270196014552 ]

Iodobis(pyridine-N)bis([bold eta]5-trimethylsilylcyclopentadienyl)neodymium

D. L. Clark, J. C. Gordon, B. L. Scott and J. G. Watkin

Formula: [NdI(C8H13Si)2(C5H5N)2]

Acta Cryst. (1997). C53, 852-854    [ doi:10.1107/S0108270197002801 ]


N. Okabe and M. Koizumi

Formula: [Mn(C10H6NO2)2(H2O)2]

Acta Cryst. (1997). C53, 854-856    [ doi:10.1107/S0108270197003387 ]

Tetrakis([bold mu]-benzoato-O:O')bis(urea)-1[bold kappa]O,2[bold kappa]O-dicopper(II)

I. Leban, N. Grgurevic, J. Sieler and P. Segedin

Formula: [Cu2(C7H5O2)4(CH4N2O)2]

Acta Cryst. (1997). C53, 856-859    [ doi:10.1107/S0108270197002989 ]

Bis(piperazinium) Pentakis(trioxomolybdo)bis(phenylphosphonate) Dihydrate

W. T. A. Harrison, L. L. Dussack and A. J. Jacobson

Formula: (C4H12N2)2[Mo5O15(C6H5O3P)2].2H2O

Acta Cryst. (1997). C53, 859-862    [ doi:10.1107/S0108270197002266 ]

trans-[(Mo6Cl8)(C7H7)4{P(n-C4H9)3}2] and trans-[(Mo6Cl8)(C8H5)4{P(n-C5H11)3}2\].2C7H8

T. Yamagata, H. Okiyama, H. Imoto and T. Saito

Formula: [(Mo6Cl8)(C7H7)4(C12H27P)2] and [(Mo6Cl8)(C8H5)4(C15H33P)2].2C7H8

Acta Cryst. (1997). C53, 862-864    [ doi:10.1107/S0108270197003375 ]

A Dioxomolybdenum(VI) Complex with a New Enantiomerically Pure Tetrahydrosalen Ligand

H. Elias, F. Stock and C. Röhr

Formula: [MoO2(C22H28N2O2)].CHCl3

Acta Cryst. (1997). C53, 864-866    [ doi:10.1107/S0108270197003004 ]

Dichloro([bold eta]6-hexamethylbenzene)(pyridine-N)ruthenium

A. J. Steedman and A. K. Burrell

Formula: [RuCl2(C12H18)(C5H5N)]

Acta Cryst. (1997). C53, 866-868    [ doi:10.1107/S0108270197003235 ]

Di-[bold mu]-bromo-bis{[(2,4,6-tris-tert-butylphenyl)phosphanediylmethyl-P]phenyl-C2}dipalladium

M. Chentit, M. Geoffroy and G. Bernardinelli

Formula: [Pd2Br2(C25H34P)2]

Acta Cryst. (1997). C53, 868-870    [ doi:10.1107/S0108270197004174 ]


M. Kabak, A. Elmali and Y. Elerman

Formula: [Ni(C14H11NO2)(C5H11N)]

Acta Cryst. (1997). C53, 870-872    [ doi:10.1107/S0108270197002990 ]

Strontium Acetate Nitrate Trihydrate, [Sr2(CH3COO)2(NO3)2(H2O)3]

C. L. Lengauer and G. Giester

Formula: [Sr2(C2H3O2)2(NO3)2(H2O)3]

Acta Cryst. (1997). C53, 872-874    [ doi:10.1107/S0108270197002047 ]

Bis{([bold mu]-acetato)[[bold mu]-bis(salicylidene)-1,3-propanediaminato](N,N-dimethylformamide)nickel(II)}cadmium(II)

D. Ülkü, M. N. Tahir, O. Atakol and H. Nazir

Formula: [CdNi2(C2H3O2)2(C17H16N2O2)2(C3H7NO)2]

Acta Cryst. (1997). C53, 874-876    [ doi:10.1107/S0108270197002606 ]


A. J. Blake, G. I. Nikonov and P. Mountford

Formula: [Zr(C12H17N)(C12H18N)2(C5H5N)2]

Acta Cryst. (1997). C53, 876-879    [ doi:10.1107/S0108270197000735 ]

[bold mu]-Bromo-[bold mu]-cyclohexylphosphido-bis(tetracarbonylmanganese) and [bold mu]-Bromo-[bold mu]-(pentacarbonylmanganese)phosphido-bis(tetracarbonylmanganese)

U. Flörke and H.-J. Haupt

Formula: [Mn2Br(C6H12P)(CO)8] and [Mn3Br(PH)(CO)13]

Acta Cryst. (1997). C53, 879-881    [ doi:10.1107/S0108270197000474 ]

Layered Tetramethylammonium Vanadium Oxide [N(CH3)4]V3O7 by X-ray Rietveld Refinement

P. Y. Zavalij, T. Chirayil and M. S. Whittingham

Formula: (C4H12N)[V3O7]

Acta Cryst. (1997). C53, 881-883    [ doi:10.1107/S010827019700320X ]

Bis([bold eta]6-toluene)thallium(I) 7,8,9,10,11,12-Hexabromo-closo-1-carbadodecaborate: a Halocarborane-Bridged Dimer with Heavy Metal-Arene Interactions

R. S. Mathur, T. Drovetskaya and C. A. Reed

Formula: [Tl(C7H8)2](CB11H6Br6)

organic compounds

Acta Cryst. (1997). C53, 884-886    [ doi:10.1107/S0108270197001492 ]

An Atypical Conformation of a Toluenesulfonamide

M. Helliwell, Y. Zhao and J. A. Joule

Formula: C21H25N3O2S

Acta Cryst. (1997). C53, 886-888    [ doi:10.1107/S010827019700067X ]


A. J. Blake, W.-S. Li, V. Lippolis and M. Schröder

Formula: C10H20S4.4I2

Acta Cryst. (1997). C53, 888-890    [ doi:10.1107/S0108270197002035 ]

2,6-Diacetylpyridinebis(p-methoxyaniline), a Terdentate NNN Donor Ligand

P. R. Meehan, E. C. Alyea and G. Ferguson

Formula: C23H23N3O2

Acta Cryst. (1997). C53, 890-892    [ doi:10.1107/S0108270197003934 ]

N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine-Water (1/2)

J. N. Low, G. Ferguson, R. López, P. Arranz, J. Cobo, M. Melguizo, M. Nogueras and A. Sánchez

Formula: C7H9N5O4.2H2O

Acta Cryst. (1997). C53, 892-895    [ doi:10.1107/S0108270197002813 ]

trans- and cis-S-C-C-S Conformations in 5-(2,2'-Dithien-5-yl)-2'-deoxyuridine

J. Wouters, I. Creuven, B. Norberg, G. Evrard, F. Durant, A. van Aerschot and P. Herdewijn

Formula: C17H16N2O5S2

Acta Cryst. (1997). C53, 895-897    [ doi:10.1107/S0108270197003752 ]


J. Wouters, F. Ooms and F. Durant

Formula: C3H5NO2

Acta Cryst. (1997). C53, 897-899    [ doi:10.1107/S0108270197000553 ]


M. Aygün, S. Isik, S. Sasmaz, M. N. Tahir, A. Erdönmez and O. Büyükgüngör

Formula: C17H15ClO3

Acta Cryst. (1997). C53, 899-901    [ doi:10.1107/S0108270197003533 ]

Configuration of the Diels-Alder Adduct of Hexachlorocyclopentadiene with L-Menthyl Acrylate

D. Ülkü, M. N. Tahir, A. S. Demir, I. Akhmedov and C. Tanyeli

Formula: C18H22Cl6O2

Acta Cryst. (1997). C53, 901-903    [ doi:10.1107/S0108270197003260 ]

Hydrogen-Bonding Pattern of an [alpha],[beta]-Unsaturated [bold delta]-Keto Acid: 1',3'-Dihydro-2-methyl-6-oxospiro[2-cyclohexene-1,2'-2'H-indene]-3-carboxylic Acid

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

Formula: C16H16O3

Acta Cryst. (1997). C53, 903-906    [ doi:10.1107/S0108270197002515 ]

(+)-3-Oxoandrost-4-ene-17[beta]-carboxylic Acid: Catemeric Hydrogen Bonding in a Steroidal Keto Acid

A. P. J. Brunskill, R. A. Lalancette and H. W. Thompson

Formula: C20H28O3

Acta Cryst. (1997). C53, 906-907    [ doi:10.1107/S0108270197001236 ]

4-Amino-2-chloro-6,7-dimethoxyquinazoline Methanol Solvate

C. P. Lai, L. Bo and S. D. Huang

Formula: C10H10ClN3O2.CH4O

Acta Cryst. (1997). C53, 907-909    [ doi:10.1107/S0108270197004071 ]


D. E. Bacelo, O. Cox, L. A. Rivera, M. Cordero and S. D. Huang

Formula: C18H14ClN3O2

Acta Cryst. (1997). C53, 909-911    [ doi:10.1107/S0108270197003223 ]

Absolute Configuration of (+)-[alpha]-Methyl-4-carboxyphenylglycine (MCPG), a Metabotropic Glutamate Receptor Antagonist

C. Wilson, J. A. K. Howard, D. E. Jane, D. C. Sunter and J. C. Watkins

Formula: C10H11NO4

Acta Cryst. (1997). C53, 911-913    [ doi:10.1107/S0108270197003661 ]


K. Griesbaum, K. J. McCullough, I. Perner, R.-O. Quinkert and G. M. Rosair

Formula: C4H4Cl4O3

Acta Cryst. (1997). C53, 913-915    [ doi:10.1107/S0108270197000528 ]

(4RS,1'RS)-Methyl 1-Phenyl-2-piperidinoethyl 1,4-Dihydro-2,6-dimethyl-4-(2-thienyl)pyridine-3,5-dicarboxylate Methanol Solvate, C27H32N2O4S.1.5CH4O

N. Marubayashi, T. Mishina, T. Hamasaki and N. Hirayama

Formula: C27H32N2O4S.1.5CH4O

Acta Cryst. (1997). C53, 915-916    [ doi:10.1107/S0108270197002849 ]

Lactosylurea Dihydrate

M. M. Olmstead, M. Hu, M. J. Kurth, J. M. Krochta and Y.-L. Hsieh

Formula: C13H24N2O11.2H2O

Acta Cryst. (1997). C53, 917-918    [ doi:10.1107/S0108270197000668 ]


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

Formula: C19H13ClO

Acta Cryst. (1997). C53, 918-920    [ doi:10.1107/S0108270197003594 ]


P. G. Jones, P. Bubenitschek, T. Höpfner and H. Hopf

Formula: C8H12I2

Acta Cryst. (1997). C53, 920-921    [ doi:10.1107/S0108270197003582 ]


P. G. Jones, P. Bubenitschek, T. Höpfner and H. Hopf

Formula: C24H36

Acta Cryst. (1997). C53, 922-925    [ doi:10.1107/S0108270197003259 ]

Bis(phenyl)-1-carbamoylguanidinium N-Phenylcarbamidonitrilate. Revision of an Earlier Proposal

F. H. Herbstein, M. Kapon and Q.-C. Yang

Formula: C14H15N4O+.C8H6N3O-

Acta Cryst. (1997). C53, 925-927    [ doi:10.1107/S010827019700228X ]

trans-Methyl 2,9-Bis(phenylsulfonyl)-1,2,3,4-tetrahydro-4-[beta]-carbolinylideneacetate

E. Subramanian, L. Govindasamy and K. Ravichandran

Formula: C26H22N2O6S2

Acta Cryst. (1997). C53, 927-928    [ doi:10.1107/S0108270197003399 ]


L. Govindasamy and E. Subramanian

Formula: C13H24N2O

Acta Cryst. (1997). C53, 929-931    [ doi:10.1107/S010827019700351X ]

Ethyl 4,6-Dimethoxy-9-phenylsulfonylcarbazole-3-carboxylate

L. Govindasamy, D. Velmurugan, K. Ravikumar and A. K. Mohanakrishnan

Formula: C23H21NO6S

Acta Cryst. (1997). C53, 931-933    [ doi:10.1107/S0108270197002588 ]

An Eight-Membered N,N,S,S-Heterocyclic Compound: 4,7-Bis(4-chlorophenyl)-3,8-dihydro-1,2,5,6-dithiadiazocine

B. M. Rymarczyk, H. Preut and R. P. Kreher

Formula: C16H12Cl2N2S2

Acta Cryst. (1997). C53, 933-936    [ doi:10.1107/S0108270197001248 ]

Two 1,5-Disubstituted Proline Esters

R. Soave, P. Roversi and R. Destro

Formula: Two diastereoisomers of C25H31NO5

Acta Cryst. (1997). C53, 936-938    [ doi:10.1107/S0108270197000917 ]

(cis-1-Cyclohexyl-6-methylene-3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-4-yl)methyl 3,5-Dinitrobenzoate

M. Lautens, A. J. Lough and Y. Ren

Formula: C22H24N2O7

Acta Cryst. (1997). C53, 938-940    [ doi:10.1107/S0108270197002138 ]


L. C. R. Andrade, J. A. Paixão, M. J. de Almeida, E. J. Tavares da Silva, M. L. Sá e Melo and A. S. Campos Neves

Formula: C19H28O2

Acta Cryst. (1997). C53, 940-942    [ doi:10.1107/S0108270197002928 ]

A Cyclic Monomer of Tetraethyleneglycol Succinate

L. Cronin, M. H. Moore, J. A. Semlyen and B. R. Wood

Formula: C12H20O7

Acta Cryst. (1997). C53, 942-943    [ doi:10.1107/S0108270197003491 ]

Boron Complex of a Member of the Quinolone Family

I. Turel, I. Leban, P. Bukovec and M. Barbo

Formula: C17H14BClFNO7

Acta Cryst. (1997). C53, 944-946    [ doi:10.1107/S010827019700245X ]

1-Acetyl-3-hydroxyadamantane and 1-Carboxy-3-hydroxyadamantane

N. P. Rath, H. Gu and R. W. Murray

Formula: C12H18O2 and C11H16O3

Acta Cryst. (1997). C53, 946-950    [ doi:10.1107/S0108270197000504 ]

Three trans-Diphenylperfluorotrienes

D. C. Swenson, P. A. Morken and D. J. Burton

Formula: C18F16, C20H10F10 and C22H10F14

Acta Cryst. (1997). C53, 950-951    [ doi:10.1107/S0108270197002345 ]

Methyl 2-Aza-2-deoxy-4,6-di-O-methyl-2-N-(p-nitrophenylamino)-[beta]-D-erythro-hexopyranosid-3-ulose

G. Bernardinelli, J. F. Tronchet and J. M. J. Tronchet

Formula: C14H19N3O7

Acta Cryst. (1997). C53, 951-954    [ doi:10.1107/S0108270197003193 ]

Refinement of Ibuprofen at 100K by Single-Crystal Pulsed Neutron Diffraction

N. Shankland, C. C. Wilson, A. J. Florence and P. J. Cox

Formula: C13H18O2

Acta Cryst. (1997). C53, 954-956    [ doi:10.1107/S0108270197002278 ]

Novel Oxidative Rearrangement Product of the First trans,cis,cis,cis-[]Fenestrane Derivative

P. A. Wender, M. A. deLong and F. C. Wireko

Formula: C16H22O2

Acta Cryst. (1997). C53, 956-959    [ doi:10.1107/S0108270197002746 ]

1,3-Diphenyl-2-tricyclo[,7]dec-2-ylidenepropane-1,3-diimine, and its -1-imino-3-one and -1,3-dione Derivatives

C.-F. Yao, Y.-S. Chen, W.-C. Chen, R.-S. Sheu, J.-K. Lai and C.-H. Ueng

Formula: C25H26N2, C25H25NO and C25H24O2

Acta Cryst. (1997). C53, 959-961    [ doi:10.1107/S0108270197002795 ]


G. Sood, C. H. Schwalbe and W. Fraser

Formula: C7H12N2O2

Acta Cryst. (1997). C53, 961-963    [ doi:10.1107/S0108270197003077 ]

Isotopically Substituted Bis(ethylenedithio)tetrathiafulvalene at 15K by Time-of-Flight Neutron Diffraction

D. M. Young, A. J. Schultz, A. M. Kini and J. M. Williams

Formula: C10D8S8

Acta Cryst. (1997). C53, 963-967    [ doi:10.1107/S0108270197000371 ]

Two Related Benzylcamphor Dimers

I.-H. Suh, S. Choi, D. E. Lewis and W. P. Jensen

Formula: Two isomers of C34H42O2

Acta Cryst. (1997). C53, 967-969    [ doi:10.1107/S0108270197002886 ]

Interwoven Hydrogen-Bonding Networks in Benzene-1,3,5-triacetic Acid

L. J. Fitzgerald and R. E. Gerkin

Formula: C12H12O6

Acta Cryst. (1997). C53, 969-971    [ doi:10.1107/S0108270197002965 ]

Intermediates in the Synthesis of Forskolin. I

J. Zukerman-Schpector, I. Caracelli, I. Malvestiti, Q. B. Cass and M. A. Battiste

Formula: C17H22O4

Acta Cryst. (1997). C53, 971-973    [ doi:10.1107/S0108270197003156 ]

N-(2-Pyridinium)urea Perchlorate

V. Velikova, O. Angelova, R. Petrova and K. Kossev

Formula: C6H8N3O+.ClO4-

Acta Cryst. (1997). C53, 973-979    [ doi:10.1107/S0108270197001212 ]

Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline

J. T. Mague, S. Vang, D. G. Berge and W. F. Wacholtz

Formula: C14H11N3S, C15H13N3S, C14H10BrN3S and C14H10ClN3S

Acta Cryst. (1997). C53, 979-981    [ doi:10.1107/S0108270197002850 ]


G. Prakash, J. C. Fettinger and D. E. Falvey

Formula: C14H16N2O3

Acta Cryst. (1997). C53, 981-982    [ doi:10.1107/S0108270197003570 ]


K. A. Ketuly, D. S. Yufit, C. J. W. Brooks and A. A. Freer

Formula: C30H44O4S

Acta Cryst. (1997). C53, 982-984    [ doi:10.1107/S0108270196014904 ]

6[alpha],7[beta]-Dihydroxyvouacapan-17[beta]-oic Acid

S. G. Ruggiero, B. L. Rodrigues, N. G. Fernandes, G. M. Stefani and D. P. Veloso

Formula: C20H28O5

Acta Cryst. (1997). C53, 984-985    [ doi:10.1107/S0108270197003065 ]


I. D. Cunningham, N. C. Wan, D. C. Povey, G. W. Smith and B. G. Cox

Formula: C9H10N4O

Acta Cryst. (1997). C53, 986-987    [ doi:10.1107/S010827019700293X ]

Bis(dicyclohexylammonium) 2,6-Pyridinedicarboxylate Dihydrate

S. W. Ng

Formula: 2C12H24N+.C7H3NO42-.2H2O

Acta Cryst. (1997). C53, 987-990    [ doi:10.1107/S0108270196014564 ]

Characterization of Quinoline Derivatives. I. 6,7-Dihydro-8-(4-methyl-1-piperazinyl)[1]benzoxepino[4,5-c]quinoline 0.13-Hydrate

G. Giorgi, A. Cappelli, M. Anzini, S. Vomero and F. Marchetti

Formula: C22H23N3O.0.13H2O

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