Acta Crystallographica Section C

Crystal Structure Communications

Volume 54, Part 2 (February 1998)

Cover illustration: A Topologically Novel Binuclear Silver Complex of Di-2-pyridyl Sulfide, see Anderson and Steel, pages 223-225. Displacement ellipsoids are shown at the 70% probability level for non-H atoms and H atoms are represented as spheres of arbitrary radii.

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

cif-access (organic compounds)

 

2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one and 3,3,6-Tribromo-2,3-dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one

K. Chantrapromma, V. Seechamnanturakit, C. Pakawatchai, S. Chantrapromma, K. Chinnakali and H.-K. Fun

Synopsis: 2,3-Dihydro-8-hydroxy-5,7-dimethoxy-2-phenyl-4H-1-benzo-pyran-4-one was isolated from Uvaria dulcis Dunal. The determination of its crystal structure and that of its bromo derivative were carried out to confirm the structures proposed from spectroscopic data.

Formula: C₁₇H₁₆O₅ and C₁₇H₁₃Br₃O₅

 

2-Ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-phenyl-4,7-dihydrothieno[2,3-b]pyridine

J. Duque Rodríguez, R. Pomés Hernández, G. Diáz de Delgado, E. Roque, M. Suárez Navarro, Y. Verdecia Reyes, E. Ochoa Rodríguez, B. Pita Mieres, R. Espinosa and L. Alba Gutierrez

Synopsis: This compound shows no unusual intramolecular or intermolecular distances or angles. The dihydrothieno[2,3-b]pyridine moiety is planar and the angle between this plane and that of the 4-phenyl ring is 85.8(1)°. The molecules are linked to form chains via intermolecular N-HO hydrogen bonds.

Formula: C₁₉H₁₉NO₄S

 

8-(2-Bromo-4-methylanilino)-9-hydroxy-4-methyl-7,8,9,10-tetrahydro-7,8-benzocoumarin

K. Chinnakali, H.-K. Fun, K. Sriraghavan and V. T. Ramakrishnan

Synopsis: The coumarin moiety in this compound is planar and the tetrahydrobenzene ring adopts a half-chair conformation. The planes of the coumarin and phenyl rings form a dihedral angle of 50.97(8)°. The crystal structure is stabilized by O-HO hydrogen bonds involving carbonyl and hydroxyl O atoms.

Formula: C₂₁H₂₀BrNO₃

inorganic compounds

 

Intralayer Hydrogen Bonding in CdSeO₃.H₂O

U. Bäumer, B. Engelen and H. Müller

Synopsis: CdSeO₃.H₂O has a layer structure consisting of octahedral trans [CdSeO₃.H₂O]_i² layers. The hydrogen bonding is exclusively intralayer.

Formula: CdSeO₃.H₂O

 

Tetraammonium Tetrametaphosphimate Tetrahydrate

N. Stock and W. Schnick

Synopsis: The tetrametaphosphimate rings in (NH₄)₄(PO₂NH)₄.4H₂O exhibit a chair conformation and are linked by N-HO hydrogen bonds to form columns along [100]. These columns are interconnected by O-HO and N-HO hydrogen bonds through the water molecules and ammonium ions.

Formula: (NH₄)₄(PO₂NH)₄.4H₂O

 

Na₁₃K₄Ga_47.45: a New Sodium Potassium Gallide Phase Containing Trimeric Icosahedral Gallium Clusters

D. Flot, L. Vincent, M. Tillard-Charbonnel and C. Belin

Synopsis: The structure of Na₁₃K₄Ga_47.45 contains Ga₁₂ icosahedra and oligomeric icosahedral units (Ga₂₈ trimers) packed within a three-dimensional framework. The interpolyhedral voids are occupied by the alkali-metal cations.

Formula: Na₁₃K₄Ga_47.45

 

Li₂VOSiO₄: a Natisite-Type Structure

K. K. Rangan, Y. Piffard, O. Joubert and M. Tournoux

Synopsis: The structure of dilithium vanadyl silicate is isotypic with that of Li₂TiOSiO₄. It is built up from VO₅ square pyramids sharing corners with SiO₄ tetrahedra to form layers between which the Li ions are situated.

Formula: Li₂VOSiO₄

metal-organic compounds

 

trans-Diaquabis(2-thienyl 2-pyridyl ketone-O,N)copper(II) Tetrafluoroborate

S. O. Sommerer, T. L. Friebe, A. J. Jircitano, C. E. MacBeth and K. A. Abboud

Formula: [Cu(C₁₀H₇NOS)₂(H₂O)₂](BF₄)₂

 

Trichloro(4,4'-dimethyl-2,2'-bipyridine-N,N')manganese(III) Acetonitrile Solvate (1/1)

K. A. Abboud, B. H. Ward and D. R. Talham

Formula: [MnCl₃(C₁₂H₁₂N₂)].C₂H₃N

 

Tricarbonyl(⁵-cyclopentadienyl)(trimethylphosphine-P)molybdenum(II) Tetrafluoroborate

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

Formula: [Mo(C₅H₅)(C₃H₉P)(CO)₃]BF₄

 

Two Tetrahalooxomolybdate(V) Structures, [Ph₃PNPPh₃][MoOBr₄] and [PPh₄][MoOI₄(H₂ O)]

J. C. Fettinger, S. P. Mattamana and R. Poli

Formula: (C₃₆H₃₀NP₂)[MoOBr₄] and (C₂₄H₂₀P)[MoOI₄(H₂O)]

 

Aqua(2,3-dimethylpyridine-N)(N-salicylideneglycinato-O,N,O')copper(II)

S. A. Warda

Formula: [Cu(C₉H₇NO₃)(C₇H₉N)(H₂O)]

 

catena-Poly[[(N-salicylideneglycinato-N,O,O')copper(II)--pyrazine-N:N'-(N-salicylideneglycinato-N,O,O')copper(II)]--1,4-dioxane-O:O'\]

S. A. Warda

Formula: [Cu₂(C₉H₇NO₃)₂(C₄H₄N₂)(C₄H₈O₂)]

 

2-[2-(Salicylideneaminomethyl)phenylimino-methyl]phenolato(2-)-N,N',O,O'}copper(II)

Y. Kani, S. Ohba, T. Ishikawa, M. Sakamoto and Y. Nishida

Formula: [Cu(C₂₁H₁₆N₂O₂)]

 

A Dimeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Methanol and a Monomeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Pyridine

Y. Kani, S. Ohba, H. Matsushima and T. Tokii

Formula: [Cu₂(C₁₀H₁₀ClO₃)₄(CH₄O)₂].2CH₃OH and [Cu(C₁₀H₁₀ClO₃)₂(C₅H₅N)₂]

 

Diaquabis[N-(1-naphthyl)-N-nitrosohydroxylaminato-O,O']cobalt(II)

K. Tamaki and N. Okabe

Formula: [Co(C₁₀H₇N₂O₂)₂(H₂O)₂]

 

Complexe de Cuivre(II) Di(nitriloacétatodiacétique) Dihydrate, [Cu(C₆H₈NO₆)₂].2H₂O

F. Ben Amor, N. Bourguiba, A. Driss et T. Jouini

Formula: [Cu(C₆H₈NO₆)₂].2H₂O

 

Bis(di-2-pyridyl-N-amine)(propionato-O)copper(II) Nitrate

S. Youngme, K. Chandavong, C. Pakawatchai, Z.-Y. Zhou and H.-K. Fun

Formula: [Cu(C₃H₅O₂)(C₁₀H₉N₃)₂]NO₃

 

-(2-Thioxo-1,3-dithiole-4,5-dithiolato)-bis{[tris(p-methoxyphenyl)phosphine]gold(I)

E. Cerrada, M. Laguna and M. D. Villacampa

Formula: [Au₂(C₃S₅)(C₂₁H₂₁O₃P)₂]

 

-[7,8-Bis(diphenylphosphino)-7,8-dicarba-nido-undecaborato-1P,2P'](pentafluorophenyl-1C)(triphenylphosphine-2P)digold(I) Dichloromethane Solvate

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

Formula: [Au₂(C₂₆H₃₀B₉P₂)(C₆F₅)(C₁₈H₁₅P)].CH₂Cl₂

 

trans-[Mo(O)(OH)(dppe)₂]⁺ as its Perchlorate Salt

J. Bendix and A. Bøgevig;

Formula: [Mo(O)(OH)(C₂₆H₂₄P₂)₂]ClO₄

 

A Polymeric Nickel(II) Thiocyanate Complex of N-(2-Aminoethyl)-N-methyl-1,2-ethanediamine

N. P. Nayak, A. K. Mukherjee, A. Mondal and N. R. Chaudhuri

Formula: [Ni(NCS)₂(C₅H₁₅N₃)]

 

The Racemic C₃-Symmetrical Propeller Structure of Chlorotris(1,3-diphenyl-1,3-propanedionato-O,O')zirconium(IV)

C. Janiak and T. G. Scharmann

Formula: [ZrCl(C₁₅H₁₁O₂)₃]

 

(9,10-Dioxo-9,10-dihydro-1-anthrylaminato-N)(triphenylphosphine-P)gold

A. V. Churakov, L. G. Kuz'mina and J. A. K. Howard

Formula: [Au(C₁₄H₈NO₂)(C₁₈H₁₅P)]

 

3-(³-Allyl)-3,3-dicarbonyl-4-(dimethyl sulfido)-3,1,2-molybdadicarba-closo-dodecaborane(12)

K. Johansen, G. M. Rosair, A. S. Weller and A. J. Welch

Formula: [Mo(C₃H₅)(C₄H₁₆B₉S)(CO)₂]

 

Bis[di-2-pyridylmethanediolato(1-)-N,O,N']cobalt(III) Perchlorate Trihydrate

M.-L. Tong, G. Yang, X.-M. Chen and S. W. Ng

Formula: [Co(C₁₁H₉N₂O₂)₂]ClO₄.3H₂O

 

trans-Dichlorotri(cyclohexyl)arsenic(V)

S. Pascu, L. Silaghi-Dumitrescu, A. J. Blake, W.-S. Li, I. Haiduc and D. B. Sowerby

Formula: [AsCl₂(C₆H₁₁)₃]

 

Tricarbonyl[(4a,5,6,7,8,9-)-2-methyl-2-phenyl-2H-benzo[f]chromen]chromium

P. Hannesschlager, P. Brun and G. Pèpe

Formula: [Cr(C₂₀H₁₆O)(CO)₃]

 

A Topologically Novel Binuclear Silver Complex of Di-2-pyridyl Sulfide

R. J. Anderson and P. J. Steel

Formula: [Ag₂(C₁₀H₈N₂S)₂(NO₃)₂].C₂H₆O

 

A Dinuclear Tungsten(III) Complex Containing a Tungsten-Tungsten Triple Bond with an Asymmetric Arrangement of Ligands: [W₂Cl₃(OCMe₃)₃(NHMe₂)₂]

M. H. Chisholm, K. Folting and D.-D. Wu

Formula: [W₂Cl₃(C₄H₉O)₃(C₂H₇N)₂]

 

Ligands with Cycloalkane Backbones. IV. Dichloro{(S,S)-trans-diphenyl[(2-diphenylphosphinyl)cyclohexyl]phosphinic acid ester}palladium(II)

C. L. Thurner, M. Barz, M. Spiegler and W. R. Thiel

Formula: [PdCl₂(C₃₀H₃₀OP₂)]

organic compounds

 

Ecstasy: 3,4-Methylenedioxymethamphetamine (MDMA)

B. H. Morimoto, S. Lovell and B. Kahr

Formula: C₁₁H₁₆NO₂⁺.Cl^-

 

The Effect of 3-Substitution on the Structures of Pyrrole-2-carbaldehydes

X. L. M. Despinoy, S. G. Harris, H. McNab, S. Parsons and K. Withell

Formula: C₇H₇NO₃ and C₆H₇NO₂

 

Two Methylsulfanylmethylene Derivatives of Meldrum's Acid

R. O. Gould, S. G. Harris, H. McNab, S. Parsons and K. Withell

Formula: C₁₈H₂₂O₄S and C₁₂H₁₂O₄S₂

 

Chasmaconitine 0.5-Methanol Solvate

M. Parvez, W. Gul, S. Anwar, G. A. Miana, Atta-ur-Rahman and M. I. Choudhary

Formula: C₃₄H₄₇NO₉.0.5CH₄O

 

Citraconic Acid

E. Batchelor and W. Jones

Formula: C₅H₆O₄

 

Cyclothreonine at 122K

U. Anthoni, T. M. Fatum and C. Flensburg

Formula: C₄H₈N₂O₂.0.5H₂O

 

6-Chloro-3-hydroxymethyl-2,2-dimethylpenam 1,1-Dioxide

A. E. Goeta, C. E. Boschetti, O. Mascaretti and G. Punte

Formula: C₈H₁₂ClNO₄S

 

1,4,8,11-Tetrathiacyclotetradecan-6-one

A. J. Blake, W.-S. Li, L. R. Sutton and M. Schröder

Formula: C₁₀H₁₈OS₄

 

2'-Hydroxy-3'-methoxy-5'-flavonesulfonic Acid Trihydrate: a New Zwitterion

J.-C. Wallet, A. Habsaoui, E. M. Gaydou, E. Molins and C. Miravitlles

Formula: C₁₆H₁₂O₇S.3H₂O

 

5,5-Dihydroxyethylbarbituric Acid

N. Irles, J. A. Subirana and X. Solans

Formula: C₈H₁₂N₂O₅

 

Electronic Effects on C-O-C Ether Bonds in 3-Aryloxy Derivatives of Benzisothiazole 1,1-Dioxides: Rapid Ethanolysis of 3-(4-Nitrophenoxy)-1,2-benzisothiazole 1,1-Dioxide, (1), to give 3-Ethoxy-1,2-benzisothiazole 1,1-Dioxide, (2)

A. F. Brigas, P. M. Goncalves and R. A. W. Johnstone

Formula: C₁₃H₈N₂O₅S and C₉H₉NO₃S

 

Complex Network of Hydrogen Bonds in 3-Aminopyrazole-4-carboxylic Acid

A. J. Dobson and R. E. Gerkin

Formula: C₄H₅N₃O₂

 

Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels-Alder Reaction of a 14-Membered Macrocycle leading to a 5-Steroid Skeleton

M. Drouin, M. Couturier and P. Deslongchamps

Formula: Four forms of C₂₄H₃₀O₈

 

Tetramethyltetrathiafulvalenium Bromide Benzonitrile Water Solvate

K. Honda, S. Takasaki, J.-I. Yamada, S.-I. Nakatsuji and H. Anzai

Formula: C₁₀H₁₂S₄⁺.Br^-.0.5C₇H₅N.0.5H₂O

 

(2R,3R)-2,3-Dibenzyloxy-1,4-bis(diphenylphosphino)butane

A. Matos Beja, J. A. Paixão, M. Ramos Silva, L. Alte da Veiga, A. M. A. D'A. Rocha Gonsalves, M. M. Pereira and M. Elisa Silva Serra

Formula: C₄₂H₄₀O₂P₂

 

2,7-Dichlorothianthrene

N.-L. Chang, S. N. Thomas, V. M. Lynch and S. H. Simonsen

Formula: C₁₂H₆Cl₂S₂

 

(S),(E)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide

V. Nastopoulos, C. Athanassopoulos, D. Papaioannou, G. W. Francis and C. Kavounis

Formula: C₂₇H₂₅NO₄

 

15,17-Di-2-propenylcalix[4]arene-25,26,27,28-tetrol: Self-Complexation and C-HO Interactions

S. Harkema, J.-D. van Loon, W. Verboom and D. N. Reinhoudt

Formula: C₃₄H₃₂O₄

 

3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-7-ene

O. V. Shishkin, Yu. M. Atroschenko, S. S. Gitis, E. N. Alifanova and I. V. Shakhkeldyan

Formula: C₉H₁₃N₃O₄

 

Methanol-Water Solvate of N-(1-Adamantyl)acetamide

S. Kashino, S. Tateno, N. Hamada and M. Haisa

Formula: 3C₁₂H₁₉NO.CH₄O.H₂O

 

A Stacked Pyrazolo[3,4-d]pyrimidine-Based Flexible Molecule

P. R. Maulik, K. Avasthi, G. Biswas, S. Biswas, D. S. Rawat, S. Sarkhel, T. Chandra and D. S. Bhakuni

Formula: C₁₇H₂₀N₈O₂S₂

 

4-Benzyl-2,9-bis(phenylsulfonyl)-1,2,3,4-tetrahydro-9H--carboline

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

Formula: C₃₀H₂₆N₂O₄S₂

 

1,3,3-Trimethylindoline-2-spiro-2'-3'-methyl-2'H-phenanthro[9,10-b][1,4]oxazine

Y.-C. Liang, X.-A. Chen, L. Zhao, Q.-Y. Zhang, J.-X. Chen, Y.-F. Ming and M.-G. Fan

Formula: C₂₇H₂₄N₂O

addenda and errata

 

The Khellin Quinone. Erratum

A. Yakoubi, J. E. Hila, H. Boughzala and A. Bizid

Synopsis: Erratum to Acta Cryst. (1997), C53, 1949-1950.

Formula:

 

1,3-Bis[bis(dimethylamino)]-N-methyldiborylamine. Erratum

A. Meller, H. Hoppe and T. Albers

Synopsis: Erratum to Acta Cryst. (1997), C53, 1951-1952.

Formula:

Copyright © International Union of Crystallography
IUCr Webmaster