Acta Crystallographica Section C

Crystal Structure Communications

Volume 53, Part 5 (May 1997)

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

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

cif-access (inorganic compounds)

 

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[Ni_0.93Fe_0.07(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[Ni_0.93Fe_0.07(H₂O)₆](SO₄)₂

cif-access (metal-organic compounds)

 

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)

 

5-Phenyldibenzophosphole, Polymorph 2

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

Formula: C₁₈H₁₃P

 

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

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

Formula: C₇H₁₁N₃O₅

inorganic compounds

 

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

 

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)

 

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

 

-BaTbF₆

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

Synopsis: -BaTbF₆ is isostructural with -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

 

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-HO hydrogen bonds. The pairs of anions are further linked by O-HO hydrogen bonds involving the water molecules to form columns.

Formula: Na₃(PO₂NH)₃.H₂O

 

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

 

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

W. Chen and M.-C. Lim

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

 

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

 

-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

 

Aqua(p-chlorophenyl)diphenyl(N-phthaloylglycinato)tin(IV)

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

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

 

Tricyclohexyl(N-phthaloylglycinato)tin(IV)

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

Formula: [Sn(C₆H₁₁)₃(C₁₀H₆NO₄)]

 

Tricyclohexyl[(N,N-diethylthiocarbamoylthio)acetato-O]tin(IV)

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

Formula: [Sn(C₆H₁₁)₃(C₇H₁₂NO₂S₂)]

 

Bis[N-(4-bromophenyl)salicylaldimine]copper(II)

Y. Elerman and M. Geselle

Formula: [Cu(C₁₃H₉BrNO)₂]

 

Sodium Bis(2,9-dimethyl-1,10-phenanthroline)--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

 

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]⁺.C₉H₂N₄S₄^2-

 

Bis[(1,1,2,3,3-pentacyanopropenido-N¹:N²)bis(triphenylphosphine-P)copper(I)]

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

Formula: [Cu₂(C₈N₅)₂(C₁₈H₁₅P)₄]

 

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

 

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]

 

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

 

trans-Chlorobis(diphenylglyoximato)(tri-n-butylphosphine)cobalt(III)

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

Formula: [CoCl(C₁₄H₁₁N₂O₂)₂(C₁₂H₂₇P)]

 

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

 

Tricarbonyl(trifluoromethyl)(triphenylphosphine)cobalt

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

Formula: [Co(CF₃)(C₁₈H₁₅P)(CO)₃]

 

(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)]

 

Bis(-2,2,6,6,10,10-hexamethyl-4,8-dioxaundecanedioato-O¹,O¹¹:O^1',O^11')bis(pyridine-N)dirhodium(II)(Rh-Rh)

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

Formula: [Rh₂(C₁₅H₂₆O₆)₂(C₅H₅N)₂]

 

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

 

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]

 

Bis(ethylxanthato)phenylantimony(III)

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

Formula: [Sb(C₆H₅)(C₃H₅OS₂)₂]

organic compounds

 

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

 

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

 

-1H-1,2,3,4-Tetrazole

R. Goddard, O. Heinemann and C. Krüger

Formula: CH₂N₄

 

5-Allyl-3-methoxy-2-(p-tolylsulfonyloxy)azobenzene

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

Formula: C₂₃H₂₂N₂O₄S

 

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

G. Bettinetti and N. Sardone

Formula: C₁₄H₁₈N₄O₃.C₁₂H₁₄N₄O₂S.CH₄O

 

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^-

 

Catemeric Hydrogen Bonding in a -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

 

and Phases of 4-Aminoquinoline-2-carboxylic Acid Monohydrate

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

Formula: Two phases of C₁₀H₈N₂O₂.H₂O

 

5-Dimethylamino-8-methyl-2-quinolone

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

Formula: C₁₂H₁₄N₂O

 

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

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

Formula: C₈H₆N₁₀O₂

 

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

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

Formula: C₂₁H₂₂N₄O₅S

 

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

 

trans-3,5-Diphenyl-1,4,2,6-oxathiadiphosphorinane-3,5-dione

P. G. Jones and A. Weinkauf

Formula: C₁₄H₁₄O₃P₂S

 

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[8.2.1.0^1,5.0^7,11]tridecan-13-one Monohydrate, (III), and 8,8-Dimethyltricyclo[9.3.0.0^2,6]tetradec-5-ene-4,10-dione, (IV)

S. Ohba and M. Umehara

Formula: C₁₄H₂₀O₃, C₁₆H₂₄O₃, C₁₄H₂₀O₃.H₂O and C₁₆H₂₂O₂

 

(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

 

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

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

Formula: C₂₀H₃₄O₃

 

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

 

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^-

 

N-(n-Butyl)-3,4-dibromomaleimide

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

Formula: C₈H₉Br₂NO₂

 

Hydronium 2-Carboxybenzenesulfonate

S. W. Ng

Formula: H₃O⁺.C₇H₅O₅S^-

 

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

 

1-Styrylsilatrane

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

Formula: C₁₄H₁₉NO₃Si

 

2-[2-(Dimethylamino)ethylammoniomethyl]-4-nitrophenolate

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

Formula: C₁₁H₁₇N₃O₃

 

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

 

2-(7,9-Diphenylcyclopenta[a]acenaphthadien-6b-yl)ethylbromide

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

Formula: C₂₉H₂₁Br

 

Anthranilic Acid-Picric Acid (2/1) Complex

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

Formula: 2C₇H₇NO₂.C₆H₃N₃O₇

 

Anhydrous and Hydrated 4-Aminotoluene-3-sulfonic Acid

M. A. Leonard and P. J. Squattrito

Formula: C₇H₉NO₃S and C₇H₉NO₃S.0.5H₂O

 

3-Acetamido-4-(cyclooctylamino)nitrobenzene

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

Formula: C₁₆H₂₃N₃O₃

 

Bis[2-(triphenylsilyl)phenyl] Disulfide

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

Formula: C₄₈H₃₈S₂Si₂

addenda and errata

 

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.

Formula:

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