Acta Crystallographica Section C

Crystal Structure Communications

Volume 54, Part 2 (February 1998)

Cover illustration 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)

Acta Cryst. (1998). C54, IUC9800001    [ doi:10.1107/S0108270198099843 ]

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

Acta Cryst. (1998). C54, IUC9800002    [ doi:10.1107/S0108270198099831 ]


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-H...O hydrogen bonds.

Formula: C19H19NO4S

Acta Cryst. (1998). C54, IUC9800003    [ doi:10.1107/S010827019809982X ]


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-H...O hydrogen bonds involving carbonyl and hydroxyl O atoms.

Formula: C21H20BrNO3

inorganic compounds

Acta Cryst. (1998). C54, 169-171    [ doi:10.1107/S0108270197014042 ]

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

Acta Cryst. (1998). C54, 171-174    [ doi:10.1107/S0108270197012766 ]

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-H...O hydrogen bonds to form columns along [100]. These columns are interconnected by O-H...O and N-H...O hydrogen bonds through the water molecules and ammonium ions.

Formula: (NH4)4(PO2NH)4.4H2O

Acta Cryst. (1998). C54, 174-175    [ doi:10.1107/S0108270197015977 ]

Na13K4Ga47.45: 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 Na13K4Ga47.45 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: Na13K4Ga47.45

Acta Cryst. (1998). C54, 176-177    [ doi:10.1107/S0108270197014650 ]

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

Acta Cryst. (1998). C54, 178-179    [ doi:10.1107/S0108270197014728 ]

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

Acta Cryst. (1998). C54, 180-181    [ doi:10.1107/S0108270197012419 ]

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

Acta Cryst. (1998). C54, 181-183    [ doi:10.1107/S0108270197012651 ]

Tricarbonyl([bold eta]5-cyclopentadienyl)(trimethylphosphine-P)molybdenum(II) Tetrafluoroborate

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

Formula: [Mo(C5H5)(C3H9P)(CO)3]BF4

Acta Cryst. (1998). C54, 184-187    [ doi:10.1107/S0108270197010718 ]

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)]

Acta Cryst. (1998). C54, 187-189    [ doi:10.1107/S010827019701305X ]


S. A. Warda

Formula: [Cu(C9H7NO3)(C7H9N)(H2O)]

Acta Cryst. (1998). C54, 189-191    [ doi:10.1107/S0108270197013061 ]

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

S. A. Warda

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

Acta Cryst. (1998). C54, 191-193    [ doi:10.1107/S0108270197013619 ]


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

Formula: [Cu(C21H16N2O2)]

Acta Cryst. (1998). C54, 193-195    [ doi:10.1107/S0108270197012973 ]

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]

Acta Cryst. (1998). C54, 195-197    [ doi:10.1107/S0108270197013620 ]


K. Tamaki and N. Okabe

Formula: [Co(C10H7N2O2)2(H2O)2]

Acta Cryst. (1998). C54, 197-199    [ doi:10.1107/S0108270197011402 ]

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

Acta Cryst. (1998). C54, 199-201    [ doi:10.1107/S0108270197014194 ]

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

Acta Cryst. (1998). C54, 201-203    [ doi:10.1107/S0108270197013346 ]

[bold mu]-(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]

Acta Cryst. (1998). C54, 203-205    [ doi:10.1107/S0108270197013826 ]

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

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

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

Acta Cryst. (1998). C54, 206-208    [ doi:10.1107/S010827019701336X ]

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

J. Bendix and A. Bøgevig;

Formula: [Mo(O)(OH)(C26H24P2)2]ClO4

Acta Cryst. (1998). C54, 208-210    [ doi:10.1107/S0108270197013280 ]

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)]

Acta Cryst. (1998). C54, 210-212    [ doi:10.1107/S0108270197014182 ]

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]

Acta Cryst. (1998). C54, 212-214    [ doi:10.1107/S0108270197012985 ]


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

Formula: [Au(C14H8NO2)(C18H15P)]

Acta Cryst. (1998). C54, 214-217    [ doi:10.1107/S0108270197011372 ]

3-([bold eta]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]

Acta Cryst. (1998). C54, 217-219    [ doi:10.1107/S0108270197013358 ]

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

Acta Cryst. (1998). C54, 219-221    [ doi:10.1107/S0108270197013334 ]


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

Formula: [AsCl2(C6H11)3]

Acta Cryst. (1998). C54, 221-223    [ doi:10.1107/S0108270197014236 ]

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

P. Hannesschlager, P. Brun and G. Pèpe

Formula: [Cr(C20H16O)(CO)3]

Acta Cryst. (1998). C54, 223-225    [ doi:10.1107/S0108270197014911 ]

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

Acta Cryst. (1998). C54, 225-227    [ doi:10.1107/S010827019700872X ]

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]

Acta Cryst. (1998). C54, 227-228    [ doi:10.1107/S0108270197013231 ]

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

Acta Cryst. (1998). C54, 229-231    [ doi:10.1107/S0108270197012390 ]

Ecstasy: 3,4-Methylenedioxymethamphetamine (MDMA)

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

Formula: C11H16NO2+.Cl-

Acta Cryst. (1998). C54, 231-233    [ doi:10.1107/S0108270197014649 ]

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

Acta Cryst. (1998). C54, 234-236    [ doi:10.1107/S0108270197014170 ]

Two Methylsulfanylmethylene Derivatives of Meldrum's Acid

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

Formula: C18H22O4S and C12H12O4S2

Acta Cryst. (1998). C54, 236-238    [ doi:10.1107/S0108270197013450 ]

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

Acta Cryst. (1998). C54, 238-240    [ doi:10.1107/S0108270197014224 ]

Citraconic Acid

E. Batchelor and W. Jones

Formula: C5H6O4

Acta Cryst. (1998). C54, 240-242    [ doi:10.1107/S0108270197013887 ]

Cyclothreonine at 122K

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

Formula: C4H8N2O2.0.5H2O

Acta Cryst. (1998). C54, 242-244    [ doi:10.1107/S0108270197013103 ]

6[alpha]-Chloro-3[alpha]-hydroxymethyl-2,2-dimethylpenam 1,1-Dioxide

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

Formula: C8H12ClNO4S

Acta Cryst. (1998). C54, 245-247    [ doi:10.1107/S0108270197017423 ]


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

Formula: C10H18OS4

Acta Cryst. (1998). C54, 247-249    [ doi:10.1107/S0108270197014169 ]

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

Acta Cryst. (1998). C54, 249-250    [ doi:10.1107/S0108270197013899 ]

5,5-Dihydroxyethylbarbituric Acid

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

Formula: C8H12N2O5

Acta Cryst. (1998). C54, 251-253    [ doi:10.1107/S010827019701353X ]

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

Acta Cryst. (1998). C54, 253-256    [ doi:10.1107/S0108270197013115 ]

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

A. J. Dobson and R. E. Gerkin

Formula: C4H5N3O2

Acta Cryst. (1998). C54, 256-261    [ doi:10.1107/S0108270197013310 ]

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

M. Drouin, M. Couturier and P. Deslongchamps

Formula: Four forms of C24H30O8

Acta Cryst. (1998). C54, 261-264    [ doi:10.1107/S0108270197013905 ]

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

Acta Cryst. (1998). C54, 264-266    [ doi:10.1107/S0108270197014248 ]


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

Acta Cryst. (1998). C54, 266-267    [ doi:10.1107/S0108270197012018 ]


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

Formula: C12H6Cl2S2

Acta Cryst. (1998). C54, 267-269    [ doi:10.1107/S0108270197009128 ]


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

Formula: C27H25NO4

Acta Cryst. (1998). C54, 269-271    [ doi:10.1107/S0108270197010937 ]

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

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

Formula: C34H32O4

Acta Cryst. (1998). C54, 271-273    [ doi:10.1107/S0108270197013279 ]


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

Formula: C9H13N3O4

Acta Cryst. (1998). C54, 273-274    [ doi:10.1107/S0108270197013541 ]

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

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

Formula: 3C12H19NO.CH4O.H2O

Acta Cryst. (1998). C54, 275-277    [ doi:10.1107/S0108270197013309 ]

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

Acta Cryst. (1998). C54, 277-279    [ doi:10.1107/S0108270197011268 ]


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

Formula: C30H26N2O4S2

Acta Cryst. (1998). C54, 279-281    [ doi:10.1107/S0108270197014637 ]


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

Acta Cryst. (1998). C54, 282    [ doi:10.1107/S0108270198001127 ]

The Khellin Quinone. Erratum

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

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


Acta Cryst. (1998). C54, 282    [ doi:10.1107/S0108270198001139 ]

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

A. Meller, H. Hoppe and T. Albers

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


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