Acta Crystallographica Section C

Crystal Structure Communications

Volume 53, Part 5 (May 1997)

Cover illustration Cover illustration: [alpha]-1H-1,2,3,4-Tetrazole, see Goddard, Heinemann and Krüger, pages 590-592.

cif-access (inorganic compounds)

Acta Cryst. (1997). C53, IUC9700002    [ doi:10.1107/S010827019709954X ]

Dipotassium Hexaaquairon(II) Bis(sulfate)-Dipotassium Hexaaquanickel(II) Bis(sulfate) (0.07/0.93)

G. Ferguson, T. R. Spalding and E. A. Herlihy

Synopsis: K2[Ni0.93Fe0.07(H2O)6](SO4)2 has a typical Tutton's Salt structure [see e.g. Acta Cryst. (1964), 17, 1295-1299; 1478-1479]. It is isomorphous with the pure nickel complex, K2[Ni(H2O)6]- (SO4)2, described previously from neutron studies [Cryst. Struct. Commun. (1975), 4, 713-716] with 7(2)% of the Ni atoms replaced by Fe atoms.

Formula: K2[Ni0.93Fe0.07(H2O)6](SO4)2

cif-access (metal-organic compounds)

Acta Cryst. (1997). C53, IUC9700004    [ doi:10.1107/S0108270197099538 ]

Dichlorobis[4,4,5,5-tetramethyl-2-(2-pyridyl)-4,5-dihydro-1H-imidazol-1-yloxy 3-oxide]copper(II) Bis(dichloromethane) Solvate

S. Ohba, T. Kato, N. Yoshioka and H. Inoue

Formula: [CuCl2(C12H16N3O2)2].2CH2Cl2

cif-access (organic compounds)

Acta Cryst. (1997). C53, IUC9700001    [ doi:10.1107/S0108270197099526 ]

5-Phenyldibenzophosphole, Polymorph 2

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

Formula: C18H13P

Acta Cryst. (1997). C53, IUC9700003    [ doi:10.1107/S0108270197099514 ]

First Example of a Crystalline Urazole Nucleoside with an L-Configured Sugar. (1S,2S)-Urazole [alpha]-L-Pyranosyl-2-deoxyriboside

P. D. Robinson, V. M. Kolb, P. A. Colloton and C. Y. Meyers

Formula: C7H11N3O5

inorganic compounds

Acta Cryst. (1997). C53, 523-526    [ doi:10.1107/S0108270196014205 ]

Pentaamminenitrocobalt(III) Dichloride and Dibromide at 290K and 150K

E. V. Boldyreva, J. Kivikoski and J. A. K. Howard

Synopsis: The structures of [Co(NO2)(NH3)5]X2 (X = Cl, Br) at 290K and 150K were determined using the same crystal in each case as part of a study of the anisotropy of structural distortion in cobalt(III) nitroammine complexes induced by changes in temperature or pressure, substitution of anions or linkage isomerization in the cation.

Formula: [Co(NO2)(NH3)5]Cl2 and [Co(NO2)(NH3)5]Br2

Acta Cryst. (1997). C53, 526-528    [ doi:10.1107/S0108270196014217 ]

Pentaamminenitrocobalt(III) Chloride Nitrate at 290K and 150K

E. V. Boldyreva, J. Kivikoski and J. A. K. Howard

Synopsis: The structure of [Co(NO2)(NH3)5]Cl(NO3) was determined at 290K and 150K using the same crystal as part of a study of the anisotropy of structural distortion in cobalt(III) nitroammine complexes induced by changes in temperature or pressure, substitution of anions or linkage isomerization in the cation.

Formula: [Co(NO2)(NH3)5]Cl(NO3)

Acta Cryst. (1997). C53, 528-530    [ doi:10.1107/S0108270196015235 ]

Electrochemically Lithiated Vanadium Oxide, Li2V6O13

Ö. Bergström, T. Gustafsson and J. O. Thomas

Synopsis: Li2V6O13 is found to be the first phase formed (at 2.65V versus Li+/Li) on electrochemical lithiation of V6O13. Lithiation causes a 7.6% expansion of the c axis, but the space group of Li2V6O13, C2/m, is the same as that of V6O13.

Formula: Li2V6O13

Acta Cryst. (1997). C53, 530-532    [ doi:10.1107/S0108270196014527 ]


E. Largeau, M. El-Ghozzi, J. Métin and D. Avignant

Synopsis: [beta]-BaTbF6 is isostructural with [beta]-BaZrF6. The structure is built from [TbF8]4- dodecahedra sharing edges to form infinite chains running along [100]. The chains are linked together by the Ba2+ ions.

Formula: beta-BaTbF6

Acta Cryst. (1997). C53, 532-534    [ doi:10.1107/S010827019601520X ]

Trisodium Trimetaphosphimate Monohydrate

N. Stock and W. Schnick

Synopsis: The trimetaphosphimate anion in Na3(PO2NH)3.H2O exhibits a chair conformation. The anions are linked to form pairs by N-H...O hydrogen bonds. The pairs of anions are further linked by O-H...O hydrogen bonds involving the water molecules to form columns.

Formula: Na3(PO2NH)3.H2O

Acta Cryst. (1997). C53, 534-536    [ doi:10.1107/S0108270196015338 ]

Strontium Metasilicate, SrSiO3

F. Nishi

Synopsis: SrSiO3 is composed of alternate layers of ternary rings of SiO4 groups and layers containing two different types of SrO8 polyhedra stacked along [001].

Formula: SrSiO3

metal-organic compounds

Acta Cryst. (1997). C53, 537-539    [ doi:10.1107/S0108270196015429 ]

Bromo(n-propionamido-[alpha]-alaninato)copper(II) and its Hydrate

W. Chen and M.-C. Lim

Formula: [CuBr(C6H11N2O3)] and [CuBr(C6H11N2O3)].H2O

Acta Cryst. (1997). C53, 539-543    [ doi:10.1107/S0108270196015417 ]

Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C6H11N2O3)2].H2O

W. Chen and M.-C. Lim

Formula: Two isomers of [Cu(C6H11N2O3)2].H2O

Acta Cryst. (1997). C53, 543-545    [ doi:10.1107/S0108270196015570 ]

[bold mu]-Cyano-bis(2,2':6',2''-terpyridine-N,N',N'')dicopper(II) Perchlorate Acetonitrile, [Cu2(CN)(C15H11N3)2](ClO4)3.CH3CN

V. Bulach, H. Duval, J. Fischer and R. Weiss

Formula: [Cu2(CN)(C15H11N3)2](ClO4)3.CH3CN

Acta Cryst. (1997). C53, 545-546    [ doi:10.1107/S0108270196014837 ]


K. M. Lo, S. W. Ng and V. G. Kumar Das

Formula: [Sn(C6H5)2(C6H4Cl)(C10H6NO4)(H2O)]

Acta Cryst. (1997). C53, 546-548    [ doi:10.1107/S0108270196014849 ]


S. W. Ng and V. G. Kumar Das

Formula: [Sn(C6H11)3(C10H6NO4)]

Acta Cryst. (1997). C53, 548-549    [ doi:10.1107/S010827019601493X ]


S. W. Ng and V. G. Kumar Das

Formula: [Sn(C6H11)3(C7H12NO2S2)]

Acta Cryst. (1997). C53, 549-551    [ doi:10.1107/S010827019601387X ]


Y. Elerman and M. Geselle

Formula: [Cu(C13H9BrNO)2]

Acta Cryst. (1997). C53, 551-554    [ doi:10.1107/S0108270196015375 ]

Sodium Bis(2,9-dimethyl-1,10-phenanthroline)-[bold mu]-hydroxo-di(thiosulfato)dizinc(II) Pentahydrate Methanol Solvate

S. Baggio, M. I. Pardo, R. Baggio and M. T. Garland

Formula: [NaZn2(OH)(S2O3)2(C14H12N2)2(H2O)3].2H2O.CH4O

Acta Cryst. (1997). C53, 554-556    [ doi:10.1107/S010827019601517X ]

Bis(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-pentaoxabenzo[b]cyclopentadecene-O1,O4,O7,O10,O13)sodium(1+) 1,1,7,7-Tetracyano-3,5-dithiahepta-1,6-diene-2,6-dithiolate(2 -) (2/1)

D.-L. Long, Q.-H. Jin, X.-Q. Xin and K.-B. Yu

Formula: 2[Na(C14H20O5)2]+.C9H2N4S42-

Acta Cryst. (1997). C53, 556-559    [ doi:10.1107/S0108270196015211 ]


A. Dvorský, J. Kozísek, L. Jäger and C. Tretner

Formula: [Cu2(C8N5)2(C18H15P)4]

Acta Cryst. (1997). C53, 559-562    [ doi:10.1107/S0108270196015223 ]

Two TEPA-Copper(II) Complexes {TEPA is Tris[2-(2-pyridyl)ethyl]amine

E. H. Alilou, A. E. Hallaoui, E. H. E. Ghadraoui, M. Giorgi, M. Pierrot and M. Réglier

Formula: [Cu(C21H24N4)(H2O)](CF3SO3)2.H2O and [Cu(C2H3O2)(C21H24N4)]PF6

Acta Cryst. (1997). C53, 562-565    [ doi:10.1107/S0108270196015053 ]

Arene-Arene Stacking in cis-Bis[2-(2-thienyl-C3)pyridine-N]platinum(II)

J. Breu, K.-J. Range, A. von Zelewsky and H. Yersin

Formula: [Pt(C9H6NS)2]

Acta Cryst. (1997). C53, 565-568    [ doi:10.1107/S0108270196015107 ]

Molecular Adducts of Inorganic Salts. VII. Cadmium Tetraoxorhenium Hexakis(thiourea) Hydrate

R. Petrova, O. Angelova and J. Macícek

Formula: [Cd(CH4N2S)6](ReO4)2.H2O

Acta Cryst. (1997). C53, 568-570    [ doi:10.1107/S010827019601565X ]


R. J. Barton, Q. Major, L. M. Mihichuk, B. E. Robertson and C. Seip

Formula: [CoCl(C14H11N2O2)2(C12H27P)]

Acta Cryst. (1997). C53, 570-572    [ doi:10.1107/S0108270197002059 ]

cis-[7,8-Bis(diphenylphosphino)-7,8-dicarba-nido-undecaborato-P,P']dichlorogold(III) Chloroform Solvate

P. G. Jones, M. D. Villacampa, O. Crespo, M. C. Gimeno and A. Laguna

Formula: [AuCl2(C26H30B9P2)].CHCl3

Acta Cryst. (1997). C53, 572-574    [ doi:10.1107/S0108270196015910 ]


D. F. Mullica, E. L. Sappenfield, S. L. Gipson and C. C. Wilkinson

Formula: [Co(CF3)(C18H15P)(CO)3]

Acta Cryst. (1997). C53, 574-576    [ doi:10.1107/S0108270196015739 ]

(Benzyl sym-dibenzo-16-crown-5 ether)lead(II) Dinitrate

C.-S. Lin, L. K. Liu and C.-H. Ueng

Formula: [Pb(NO3)2(C26H28O6)]

Acta Cryst. (1997). C53, 576-579    [ doi:10.1107/S010827019700142X ]

Bis([bold mu]-2,2,6,6,10,10-hexamethyl-4,8-dioxaundecanedioato-O1,O11:O1',O11')bis(pyridine-N)dirhodium(II)(Rh-Rh)

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

Formula: [Rh2(C15H26O6)2(C5H5N)2]

Acta Cryst. (1997). C53, 579-581    [ doi:10.1107/S0108270197000693 ]

2:1 Complex of N,N',N''-Trimethylnitrilotriacetamide and Pb(NO3)2

E. Skrzypczak-Jankun and D. A. Smith

Formula: [Pb(C9H18N4O3)2](NO3)2

Acta Cryst. (1997). C53, 581-583    [ doi:10.1107/S0108270197000437 ]

Bis[1-hydroxyethane-1,1-diylbis(dimethyl phosphonate-O)]tris(nitrato-O,O')praseodymium

A. M. J. Lees, A. W. G. Platt and R. A. Kresinski

Formula: [Pr(NO3)3(C6H16O7P2)2]

Acta Cryst. (1997). C53, 583-585    [ doi:10.1107/S0108270197000620 ]


A. J. Blake, M. Pearson, D. B. Sowerby and P. P. Woodhead

Formula: [Sb(C6H5)(C3H5OS2)2]

organic compounds

Acta Cryst. (1997). C53, 586-587    [ doi:10.1107/S0108270196015193 ]

A 13-Membered Cyclic Tetraamine Salt: 12,12-Dimethyl-4,7,10-triaza-1-azoniacyclotridecane Perchlorate Hydrate

O. P. Gladkikh, N. F. Curtis and M. M. Turnbull

Formula: C11H27N4+.ClO4-.H2O

Acta Cryst. (1997). C53, 588-590    [ doi:10.1107/S0108270196014667 ]

meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane Dihydroperchlorate Monohydrate

H.-M. Hu, H.-S. Sun, X.-Y. Huang, X.-H. Chen, Y. Liu and X.-Z. You

Formula: C16H38N42+.2ClO4-.H2O

Acta Cryst. (1997). C53, 590-592    [ doi:10.1107/S0108270197000772 ]


R. Goddard, O. Heinemann and C. Krüger

Formula: CH2N4

Acta Cryst. (1997). C53, 593-594    [ doi:10.1107/S0108270196011596 ]


S. Isik, M. Aygün, S. Sasmaz, E. Kendi, O. Büyükgüngör and A. Erdönmez

Formula: C23H22N2O4S

Acta Cryst. (1997). C53, 594-597    [ doi:10.1107/S0108270196014783 ]

Methanol Solvate of the 1:1 Molecular Complex of Trimethoprim and Sulfadimidine

G. Bettinetti and N. Sardone

Formula: C14H18N4O3.C12H14N4O2S.CH4O

Acta Cryst. (1997). C53, 597-599    [ doi:10.1107/S0108270196015181 ]

Absolute Configuration of the Double Salt of cis-4-Amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-1-ium-4-yl}-2-methoxybenzamide Tartrate (Cisapride Tartrate)

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

Formula: C23H30ClFN3O4+.C4H5O6-

Acta Cryst. (1997). C53, 599-601    [ doi:10.1107/S0108270196015144 ]

Catemeric Hydrogen Bonding in a [bold gamma]-Keto Acid: (±)-2a,3,4,5-Tetrahydro-1(2H)-oxoacenaphthylene-2a-carboxylic Acid

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

Formula: C13H12O3

Acta Cryst. (1997). C53, 602-605    [ doi:10.1107/S0108270197000565 ]

[alpha] and [beta] Phases of 4-Aminoquinoline-2-carboxylic Acid Monohydrate

C. J. Burd, A. J. Dobson and R. E. Gerkin

Formula: Two phases of C10H8N2O2.H2O

Acta Cryst. (1997). C53, 606-607    [ doi:10.1107/S0108270196010621 ]


L. Sudha, K. Subramanian, Th. Steiner, G. Koellner, V. T. R. Ramakrishnan and K. Sriraghavan

Formula: C12H14N2O

Acta Cryst. (1997). C53, 608-610    [ doi:10.1107/S0108270196015764 ]

2,6-Diazido-9-(carboxymethyl)purine Methyl Ester

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

Formula: C8H6N10O2

Acta Cryst. (1997). C53, 610-612    [ doi:10.1107/S0108270196015612 ]

Structural Studies of Mitomycins. IX. 6-Demethyl-6-(phenylthiomethyl)mitomycin C

N. Sugaya, I. Fujii, N. Hirayama, H. Arai and M. Kasai

Formula: C21H22N4O5S

Acta Cryst. (1997). C53, 612-615    [ doi:10.1107/S0108270197000085 ]

A Diastereomeric Pair of Cyclophane Derivatives: Planar-Chiral and meso-Dimethylbis([2.2]paracyclophan-4-yl)silane

P. G. Jones, L. Ernst, I. Dix and L. Wittkowski

Formula: Two forms of C34H36Si

Acta Cryst. (1997). C53, 615-616    [ doi:10.1107/S0108270197000073 ]


P. G. Jones and A. Weinkauf

Formula: C14H14O3P2S

Acta Cryst. (1997). C53, 616-620    [ doi:10.1107/S0108270196015661 ]

3-Acetonylbicyclo[6.3.0]undecane-2,6-dione, (I), 7-Acetonyl-4,4-dimethylbicyclo[6.3.0]undecane-2,6-dione, (II), 7,12-Dihydroxy-12-methyltetracyclo[,5.07,11]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[,6]tetradec-5-ene-4,10-dione, (IV)

S. Ohba and M. Umehara

Formula: C14H20O3, C16H24O3, C14H20O3.H2O and C16H22O2

Acta Cryst. (1997). C53, 620-624    [ doi:10.1107/S0108270196015673 ]

(E)-o-Stilbenecarboxylic Acid and its p-Methyl, Chloro and Methoxy Derivatives

H. Hamazaki, S. Ohba, F. Toda and H. Takumi

Formula: C15H12O2, C16H14O2, two forms of C15H11ClO2 and C16H14O3

Acta Cryst. (1997). C53, 624-626    [ doi:10.1107/S0108270197000048 ]

1[alpha],5[alpha]-Dihydroxymanoyl Oxide, a Novel Diterpene from Satureja gilliesii

V. Manríquez, C. Labbé, M. Castillo and O. Wittke

Formula: C20H34O3

Acta Cryst. (1997). C53, 626-628    [ doi:10.1107/S0108270196015727 ]

A Conformationally Restricted Aspartic Acid Analogue with a Norbornane Skeleton. II

E. Buñuel, C. Cativiela, M. D. Díaz-de-Villegas and J. A. Gálvez

Formula: C17H19NO5

Acta Cryst. (1997). C53, 628-631    [ doi:10.1107/S0108270197001200 ]

Molecular Tiling in the 1:1 Adduct of 1,4-Diazabicyclo[2.2.2]octane and 1,3,5-Benzenetricarboxylic Acid

P. R. Meehan, G. Ferguson, C. Glidewell and I. L. J. Patterson

Formula: C6H13N2+.C9H5O6-

Acta Cryst. (1997). C53, 631-633    [ doi:10.1107/S0108270197000024 ]


W. Chen, J.-X. Yang, Z.-P. Bai, Z.-X. Wang and X.-Z. You

Formula: C8H9Br2NO2

Acta Cryst. (1997). C53, 633-634    [ doi:10.1107/S0108270196015326 ]

Hydronium 2-Carboxybenzenesulfonate

S. W. Ng

Formula: H3O+.C7H5O5S-

Acta Cryst. (1997). C53, 634-637    [ doi:10.1107/S0108270196015168 ]

Heterocyclic N-Acetoxyarylamines, Models for the Putative Ultimate Carcinogens of Aromatic Amines: 2-Acetoxyamino-5-phenylpyridine and 2-Acetoxyaminopyridine

W. H. Ojala, R. A. Iyer, P. E. Hanna and W. B. Gleason

Formula: C13H12N2O2 and C7H8N2O2

Acta Cryst. (1997). C53, 637-639    [ doi:10.1107/S0108270197000310 ]


M. Stradiotto, G. Crowe, R. Ruffolo and M. A. Brook

Formula: C14H19NO3Si

Acta Cryst. (1997). C53, 640-641    [ doi:10.1107/S0108270196015491 ]


A. Hazell, J. Overgaard, S. K. Lausen, H. Hu and L. E. Khoo

Formula: C11H17N3O3

Acta Cryst. (1997). C53, 641-644    [ doi:10.1107/S0108270196015788 ]

N-Butylthiophene-3-carboxamide and 2-Benzylseleno-N-butylthiophene-3-carboxamide at 130K

R. W. Gable, M. J. Laws and C. H. Schiesser

Formula: C9H13NOS and C16H19NOSSe

Acta Cryst. (1997). C53, 644-646    [ doi:10.1107/S0108270197000632 ]


G. Jany, M. Gustafsson, T. Repo, M. Klinga and M. Leskelä

Formula: C29H21Br

Acta Cryst. (1997). C53, 646-648    [ doi:10.1107/S0108270196011262 ]

Anthranilic Acid-Picric Acid (2/1) Complex

Y. In, H. Nagata, M. Doi, T. Ishida and A. Wakahara

Formula: 2C7H7NO2.C6H3N3O7

Acta Cryst. (1997). C53, 648-651    [ doi:10.1107/S0108270196015600 ]

Anhydrous and Hydrated 4-Aminotoluene-3-sulfonic Acid

M. A. Leonard and P. J. Squattrito

Formula: C7H9NO3S and C7H9NO3S.0.5H2O

Acta Cryst. (1997). C53, 651-654    [ doi:10.1107/S0108270196007202 ]


J. González-Platas, C. Ruiz-Pérez, M. Torres and C. Yanes

Formula: C16H23N3O3

Acta Cryst. (1997). C53, 654-655    [ doi:10.1107/S0108270197001662 ]

Bis[2-(triphenylsilyl)phenyl] Disulfide

J. R. Miller, C. Lu and Y. Zheng

Formula: C48H38S2Si2

addenda and errata

Acta Cryst. (1997). C53, 656    [ doi:10.1107/S0108270197006392 ]

A Strained Tricyclic Product of a Dipolar 1,3-Cycloaddition Reaction of Diazepine. Erratum

M. El Messaoudi, A. Hasnaoui, M. El Aatmani, J. P. Lavergne, M. Giorgi and M. Pierrot

Synopsis: Erratum to Acta Cryst. (1996), C52, 3213-3215.


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