Acta Crystallographica Section C

Crystal Structure Communications

Volume 54, Part 3 (March 1998)

Cover illustration: A Novel Cyclotriphosphazene Complex with a Short Transannular P...P Contact, see Thomas, pages 331-333. Displacement ellipsoids are shown at the 50% probability level for non-H atoms and H atoms have been omitted for clarity.

• cif-access (organic compounds)
• inorganic compounds
• metal-organic compounds
• organic compounds

cif-access (organic compounds)

 

Polymorph II of 2-(2-Ethyl-2,3-dihydro-1-benzofuran-2-yl)imidazolinium Chloride

C. Belin, R. Pena, A. Chauvet, J. P. Ribet and J. L. Maurel

Synopsis: In the title compound (efaroxan hydrochloride), homochiral cationic molecules form chains along the b axis of the triclinic cell via N-HCl hydrogen bonds. The furanyl groups are nearly parallel to the a axis and the imidazolinium rings are roughly perpendicular to it.

Formula: C₁₃H₁₇N₂O⁺.Cl^-

 

O-Methyldehydronorcacalol

M. Parvez, P. Kulanthaivel and M. H. Benn

Synopsis: The structure and relative stereochemistry of O-methyldehydronorcacalol, a sesquiterpenoid isolated from Traversia baccharoides Hook f., is established. The hydroxyl group takes part in a bifurcated hydrogen bond, intramolecular with an adjacent methoxy O atom and intermolecular with an acetyl O atom of an adjacent molecule.

Formula: C₁₅H₁₈O₃

 

(1R)-1-[(2R,4R,5S)-4-Methyl-5-phenyl-3-tosyl-1,3-oxazolidin-2-yl]indan-2-one

B. Berger and M. Bolte

Synopsis: 1,3-Oxazolidines are powerful chiral templates for auxiliary-directed asymmetric synthesis. The stereochemical parameters of the title compound are in good agreement with other arylsulfonyloxazolidines.

Formula: C₂₆H₂₅NO₄S

 

2,3-Dihydro-6,7-dimethyl-2-phenyl-4H-1-benzopyran-4-one

S. Chantrapromma, N. Chawaluechai, C. Karalai, K. Chantrapromma, H.-K. Fun, K. Chinnakali and I. A. Razak

Synopsis: In the title molecule, the dihydropyran ring adopts a sofa conformation. The benzopyran ring is distorted from planarity and the phenyl ring forms a dihedral angle of 53.86 (6)° with the dihydropyran ring.

Formula: C₁₇H₁₆O₂

inorganic compounds

 

Redetermination of Monoclinic VOHPO₄.2H₂O

H. Worzala, T. Goetze, D. Fratzky and M. Meisel

Synopsis: A new synthetic route for the preparation of single crystals of monoclinic VOHPO₄.2H₂O has been found. The results of the single-crystal structure analysis are compared with those of an earlier X-ray powder structure determination.

Formula: VOHPO₄.2H₂O

metal-organic compounds

 

(Benzoato-O){tris[(2-benzimidazolyl-N³)methyl]amine-N}zinc(II) Tetrafluoroborate Methanol Solvate

D. E. Fenton, H. Adams and Q.-Y. He

Formula: [Zn(C₇H₅O₂)(C₂₄H₂₁N₇)]BF₄.CH₄O

 

Diaquabis(2-pyridinecarboxylato-N,O)manganese(II)

N. Okabe and M. Koizumi

Formula: [Mn(C₆H₄NO₂)₂(H₂O)₂]

 

Bis(acetonitrile-N)diaquatrichloroerbium(III) Acetonitrile Solvate

W. Errington, M. P. Spry and G. R. Willey

Formula: [ErCl₃(C₂H₃N)₂(H₂O)₂].C₂H₃N

 

Bis(tetra-n-butylammonium) Hexa-₃-sulfido-hexakis(nitrosoiron)

U. Geiser and J. M. Williams

Formula: (C₁₆H₃₆N)₂[Fe₆S₆(NO)₆]

 

Bis(1,4,7-trithiacyclononane-S,S',S'')cobalt(II) Bis(triiodide)

A. J. Blake, V. Lippolis, S. Parsons and M. Schröder

Formula: [Co(C₆H₁₂S₃)₂](I₃)₂

 

Macrocyclic Thioether Complexes of Palladium with Dibromoiodide Anions

A. J. Blake, L. M. Gilby, R. O. Gould, V. Lippolis, S. Parsons and M. Schröder

Formula: [Pd(C₆H₁₂S₃)₂](IBr₂)₂ and [Pd(C₁₀H₂₀S₄)](IBr₂)₂

 

Bis(acetonitrile-N)(1,4,8,12-tetraazacyclopentadecane)nickel(II) Bis(triiodide) and (1,4,8,12-Tetraazacyclopentadecane)palladium(II) Bis(triiodide)

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

Formula: [Ni(C₂H₃N)₂(C₁₁H₂₆N₄)](I₃)₂ and [Pd(C₁₁H₂₆N₄)](I₃)₂

 

Polymeric ,'-Pyrazine-N,N'-bis(N-salicylidene-R,S-alaninato)copper(II) Tetrahydrate

S. A. Warda

Formula: [Cu₂(C₁₀H₉NO₃)₂(C₄H₄N₂)].4H₂O

 

Dimeric (Imidazole-N³)(N-salicylidene-rac-alaninato-O,N,O')copper(II)

S. A. Warda

Formula: [Cu(C₁₀H₉NO₃)(C₃H₄N₂)]

 

Diaquabis(5-methoxycarbonyl-3,6-dimethylpyrazine-2-carboxylato-N¹,O)copper(II)

Y. Wang and H. Stoeckli-Evans

Formula: [Cu(C₉H₉N₂O₄)₂(H₂O)₂]

 

cis-Dichloro(2-diphenylphosphinoethylamine-N,P)palladium(II)

M. D. Spicer

Formula: [PdCl₂(C₁₄H₁₆NP)]

 

catena-Poly[[tetrakis(-3,5-dinitrobenzoato-O:O')dicopper(II)]bis[(-3,5-dinitrobenzoato-O:O')(methanol-O)copper(II)]]

T. Hökelek, Y. Mert and C. Ünalerouglu

Formula: [Cu₃(C₇H₃N₂O₆)₆(CH₄O)₂]

 

Bis(2,2'-bipyridine-N,N')(isocyanato-N)copper(II) Tricyanomethanide

I. Potocnák, M. Dunaj-Jurco, D. Miklos and L. Jäger

Formula: [Cu(NCO)(C₁₀H₈N₂)₂](C₄N₃)

 

Diphenylzirconocene

W. Clegg, L. Horsburgh, D. M. Lindsay and R. E. Mulvey

Formula: [Zr(C₅H₅)₂(C₆H₅)₂]

 

H₂N(CH₂)₂NH₃⁺.[Mn{H₂N(CH₂)₂NH₂}₃]²⁺.[Sb Se₄]^3-

F. Wendland, C. Näther, M. Schur and W. Bensch

Formula: (C₂H₉N₂)[Mn(C₂H₈N₂)₃][SbSe₄]

 

Triethylammonium Tris(thiobenzoato-O,S)cadmate(II)

J. J. Vittal and P. A. W. Dean

Formula: (C₆H₁₆N)[Cd(C₇H₅OS)₃]

 

trans-Diperchloratobis(pyridine-2-carboxamide-N¹,O)copper(II)

L. Sieron and M. Bukowska-Strzyzewska

Formula: [Cu(ClO₄)₂(C₆H₆N₂O)₂]

 

Monosodium 3-(Dimethylammonio)-1-hydroxy-1,1-propanediyldiphosphonate Monohydrate (Monosodium Olpadronate Monohydrate)

D. Vega, R. Baggio and O. Piro

Formula: Na⁺.C₅H₁₄NO₇P₂^-.H₂O

 

A Dihydrate Complex of Molybdosilicic Acid and Hexamethylphosphoramide, [{(CH₃)₂N}₃PO]₅[H₄SiMo₁₂O₄₀].2H₂O

H.-K. Fun, K. Chinnakali, B.-C. Yip, J.-Y. Niu, J.-P. Wang and X.-Z. You

Formula: (C₆H₁₈N₃OP)₅[H₄SiMo₁₂O₄₀].2H₂O

 

1,1,1,2,2,2,3,3,3-Nonacarbonyl-1,2-[-bis(diphenylphosphino)methane-P',P'']-3-(trimethylphosphite-P)triangulotriruthenium(0)

O. bin Shawkataly, K. Ramalingam, D. M. Ashari, H.-K. Fun and I. A. Razak

Formula: [Ru₃(C₃H₉O₃P)(C₂₅H₂₂P₂)(CO)₉]

 

A Novel Cyclotriphosphazene Complex with a Short Transannular PP Contact

K. R. J. Thomas

Formula: [CoCl₂(C₂₈H₄₈N₁₃P₃)]

 

cis-Bis[(2-diphenylphosphinoethyl)dimethylstannyl]platinum(II)

U. Baumeister, H. Hartung, T. Schulz and H. Weichmann

Formula: [PtSn₂(CH₃)₄(C₁₄H₁₄P)₂]

 

Chloro(dibenzylamine-N)dimethylaluminium(III)

F. J. Craig, A. R. Kennedy and R. E. Mulvey

Formula: [AlCl(CH₃)₂(C₁₄H₁₅N)]

 

Tetraethylammonium (2,2-Dicyano-1,1-ethylenedithiolato-S,S')bis(triphenylphosphino-P)copper(I), (Et₄ N)[Cu(PPh₃)₂{S₂C₂(CN)₂}]

W. Su, M. Hong, R. Cao and H. Liu

Formula: (C₈H₂₀N)[Cu(C₄N₂S₂)(C₁₈H₁₅P)₂]

 

Chloro(N,N',N''-trimethyl-1,5,9-triazacyclododecane-³N)zinc(II) Hexafluorophosphate

N. W. Alcock, H. J. Clase, S. Siltchenko, E. Rybak-Akimova and D. H. Busch

Formula: [ZnCl(C₁₂H₂₇N₃)]PF₆

 

The Monomeric Form of a Cobalt(III) Complex of a Tetraaza Macrocyclic Ligand with a Dangling Carboxylate Arm

K.-L. T. Edwards, N. W. Alcock and D. H. Busch

Formula: [CoCl₂(C₁₆H₂₆N₄O₂)]Cl.H₂O

 

(1,3-Butadiynyl-C¹)(⁵-cyclopentadienyl)(triphenylphosphine-P)nickel(II)

J. F. Gallagher, P. Butler and A. R. Manning

Formula: [Ni(C₄H)(C₅H₅)(C₁₈H₁₅P)]

 

Dichloro[ferrocene-1,1'-diylbis(diphenylphosphine-P)]mercury(II) Methanol Solvate

J. McGinley, V. McKee and C. J. McKenzie

Formula: [HgCl₂{Fe(C₁₇H₁₄P)₂}].CH₄O

 

trans-Diaquabis(4-hydroxybenzoato-O)bis(nicotinamide-N)copper(II)

T. Hökelek, K. Budak, K. Sendil and H. Necefoglu

Formula: [Cu(C₇H₅O₃)₂(C₆H₆N₂O)₂(H₂O)₂]

 

Hexakis(N,N-dimethylformamide-O)nickel(II) Bis(tetrafluoroborate)

W.-S. Li, A. J. Blake, N. R. Champness, M. Schröder and D. W. Bruce

Formula: [Ni(C₃H₇NO)₆](BF₄)₂

 

Sodium Hydrogen Hexaacetatodirhodate(II)

X. Wei, M. H. Dickman and M. T. Pope

Formula: Na(H)[Rh₂(C₂H₃O₂)₆]

organic compounds

 

An Azomethylene Carbonyliron Complex from 4,4'-Dimethylbenzaldazine, ₂,²,³-(4-Methylbenz-1-al)hydrazone-N¹-(5-methylbenzylidene)hexacarbonyldiiron

J. Zachara and A. Zimniak

Formula: [Fe₂(C₁₆H₁₆N₂)(CO)₆]

 

Dichloro[(-)-sparteine-N,N']copper(II)

S. Lopez, I. Muravyov, S. R. Pulley and S. W. Keller

Formula: [CuCl₂(C₁₅H₂₆N₂)]

 

Bromo(hydrido)methylbis(4-methylpyridine-N)silicon Bromide at 173K

K. Hensen, M. Kettner and M. Bolte

Formula: C₁₃H₁₈BrN₂Si⁺.Br^-

 

1,10-Phenanthrolin-1-ium Chloride Bis(1,10-phenanthroline) Solvate at 143K

K. Hensen, F. Gebhardt and M. Bolte

Formula: C₁₂H₉N₂⁺.Cl^-.2C₁₂H₈N₂

 

6-Acetyl-3,4-dihydro-2,2-dimethyl-2H-benzopyran-3,7-diyl Diacetate

A. Jha, S. Malhotra, V. S. Parmar and W. Errington

Formula: C₁₇H₂₀O₆

 

1-(3,4-Dimethoxy-,-dihydrocinnamoyl)pyrrole, a Novel Amide from Piper brachystachyum

R. Kumar, V. S. Parmar, W. Errington, J. Wengel and C. E. Olsen

Formula: C₁₅H₁₇NO₃

 

1,4-Bis[3-(N-cyclohexyliminomethyl)-2-hydroxy-5-methylbenzyl]piperazine

R. Thirumurugan, S. Shanmuga Sundara Raj, G. Shanmugam, K. Chinnakali, I. A. Razak, H.-K. Fun, M. Marappan and M. Kandaswamy

Formula: C₃₄H₄₈N₄O₂

 

8-Acetyl-4-methyl-9-phenylthio-7,8,9,10-tetrahydro-7,8-benzocoumarin

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

Formula: C₂₂H₂₀O₄S

 

Diethyl 1-(3,4-Dichlorophenyl)-5-oxo-3-(2-thienyl)-2,2-pyrrolidinedicarboxylate

J. K. Ray, A. Chakraborty, S. D. Adhikari, K. Chinnakali and H.-K. Fun

Formula: C₂₀H₁₉Cl₂NO₅S

 

2-Acetyl-5,8-dihydronaphthalen-1-ol

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

Formula: C₁₂H₁₂O₂

 

A Steroidal Dihydro-1,3-oxazine Derivative

T. Bes, A. Hajnal, G. Schneider, M. Noltemeyer and J. Wölfling

Formula: C₂₇H₃₇NO₂

 

2-(Isopropoxy)-4,12-diphenyl-4-(trifluoromethyl)-1,13-dithia-3,11-diazadispiro[4.0.4.3]trideca-2,11-diene

A. Linden, N. Bojkova and H. Heimgartner

Formula: C₂₅H₂₅F₃N₂OS₂

 

meso-1-[3-(1-Hydroxy-3-butynyl)phenyl]-3-butyn-1-ol

J. W. Bats and A. S. K. Hashmi

Formula: C₁₄H₁₄O₂

 

A gem-Dichloro[4.3.1]propellane and a gem-Dichloro[5.3.1]propellenone

M. F. Mackay, M. G. Banwell, S. Pallich and J. R. Phyland

Formula: C₁₂H₁₃Cl₃O and C₁₁H₁₁Cl₃O

 

Cyclohexanone-2,4,4,6-tetramethyl Ester

A. B. Hughes and M. F. Mackay

Formula: C₁₄H₁₈O₉

 

meso-3,6-Dimethyl-3,6-bis(tert-butyldimethylsilyloxy)-1,7-octadiyne

A. Wicki, S. Grüschow, T. Lüthi, J. von Grothe, S. Capelli, J. Hauser and R. Keese

Formula: C₂₂H₄₂O₂Si₂

 

Ammonium Hydrogen Tartronate

J.-I. Taka, S. Ogino and S. Kashino

Formula: NH₄⁺.C₃H₃O₅^-

 

1H-Indole-3-propionic Acid

N. Okabe and Y. Adachi

Formula: C₁₁H₁₁NO₂

 

The Absolute Configuration of cis-(S,1S,2R)-2-Methyl-1-(-methylbenzylamino)cyclohexanecarboxamide

F.-J. Volk, G. Mattern, E. Weckert and A. W. Frahm

Formula: C₁₆H₂₄N₂O

 

A Cyclic Sulfate with a Seven-Membered Ring: 1,3,2-Dioxathiepane 2,2-Dioxide

C. Krüger, M. Kessler, C. Six and W. Leitner

Formula: C₄H₈O₄S

 

2-Acétamido-2',4'-dinitrodiphénylsulfure

F. Hdii, J.-P. Reboul, J. Barbe et D. Pepe Siri

Formula: C₁₄H₁₁N₃O₅S

 

Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds

A. Krief, T. Ollevier, D. Swinnen, B. Norberg, G. Baudoux and G. Evrard

Formula: C₂₀H₂₈O₆, C₂₅H₃₆O₆ and three isomers of C₂₁H₃₀O₆

 

The First Structural Characterization of a Sulfoximidium Salt

J. J. Longridge, J. M. Rawson, N. Feeder and P. R. Raithby

Formula: C₁₂H₁₂NOS⁺.HSO₄^-

 

Rotundifoline, an Oxoindole Alkaloid

A. Mukhopadhyyay, S. K. Talapatra, A. K. Saha, P. K. Lala, S. K. Mazumdar and K. Bhattacharyya

Formula: C₂₂H₂₈N₂O₅

 

6-Allyl-8,8-dimethyl-3-oxo-2-(1-phenylethyl)-2-azabicyclo[4.3.0]non-1(9)-ene-5-carboxylic Acid, a Key Compound in the Asymmetric Synthesis of Quadrone

A. Chiaroni, C. Riche, D. Françoise, M. Mauduit and C. Miet

Formula: C₂₂H₂₇NO₃

 

Cyclotene Hydrate, C₆H₈O₂.H₂O

S. E. Fayle, J. A. Gerrard, H. E. Nursten and P. J. Steel

Formula: C₆H₈O₂.H₂O

 

5,7-Dimethyl-3-phenyl-1,2,4-benzotriazine

F. Nicoló, M. Panzalorto, R. Scopelliti, G. Grassi and F. Risitano

Formula: C₁₅H₁₃N₃

 

Ambroxol Theophylline-7-acetate Salt Monohydrate

G. Giuseppetti, F. Mazzi, C. Tadini, F. Giordano, G. Bettinetti, M. Sorrenti and A. Gazzaniga

Formula: C₁₃H₁₉Br₂N₂O⁺.C₉H₉N₄O₄^-.H₂O

 

6,7,8,9-Tetrahydro-4-trifluoromethyl-2H-pyrano[3,2-g]quinolin-2-one, (I), and 6,7,8,9-Tetrahydro-9-ethyl-4-trifluoromethyl-2H-pyrano[3,2-g]quinolin-2-one, (II)

J. P. Jasinski, J. M. Jasinski and Y. Li

Formula: C₁₃H₁₀F₃NO₂ and C₁₅H₁₄F₃NO₂

 

1,4-Bis(triphenylmethoxy)-2-butyne, Rhombohedral with Z' = 7/6

M. delR. Benites, R. P. Hammer and F. R. Fronczek

Formula: C₄₂H₃₄O₂

 

Stereochemistry of Anti-Inflammatory Drugs. VI. Piperazinium 2-(2,6-Dichlorophenylamino)phenylacetate Dihydrate, (H₂PZ)D₂.2H₂O

C. Castellari and S. Ottani

Formula: C₄H₁₂N₂²⁺.2C₁₄H₁₀Cl₂NO₂^-.2H₂O

 

A Perforated Molecular Tape in the 1:1 Salt of 4,4'-Trimethylenedipyridine and 1,3,5-Benzenetricarboxylic acid

G. Ferguson, C. Glidewell, G. D. McManus and P. R. Meehan

Formula: C₁₃H₁₅N₂⁺.C₉H₅O₆^-

 

(+)-3-Oxo-23,24-dinor-5-cholan-22-oic Acid: Hydrogen-Bonding Patterns in a Steroidal Keto Acid and its Monohydrate

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

Formula: C₂₂H₃₄O₃ and C₂₂H₃₄O₃.H₂O

 

[3aR-(3a,4,7,7a)]-2-Acetyl-4,8,8-trimethylperhydro-4,7-methano-1,2-benzisoselenazol-3a-ol

T. G. Back, B. P. Dyck, S. Nan and M. Parvez

Formula: C₁₃H₂₁NO₂Se

 

1-Acetyl-2-thiohydantoin

J. S. Casas, A. Castiñeiras, D. Couce, N. Playá, J. Sordo and J. M. Varela

Formula: C₅H₆N₂O₂S

 

(3S)-4,4-Dimethyl-2-oxotetrahydrofuran-3-yl (2S)-2-(1,4-Benzodioxin-6-yl)propionate

M. T. Vázquez, M. D. Pujol and X. Solans

Formula: C₁₇H₁₈O₆

 

Three N-Aryl-Substituted 3-hydroxypyridin-4-ones

J. Burgess, J. Fawcett, D. R. Russell and L. Zaisheng

Formula: C₁₅H₁₇NO₂, C₁₄H₁₅NO₂ and C₁₄H₁₅NO₃

 

Inclusion Complex of rac-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane with Hydrochloride and Water

Y. A. Simonov, G. Bocelli, M. S. Fonari, E. V. Ganin and Y. A. Popkov

Formula: C₁₆H₃₈N₄²⁺.2Cl^-.3H₂O

 

2-(N-Acetylamino)pent-4-ynamide

G. T. Crisp, Y.-L. Jiang and E. R. T. Tiekink

Formula: C₇H₁₀N₂O₂

 

3,5-Bis(2-pyridyl)-4-p-chlorophenyl-4H-1,2,4-triazole

Z. Wang, Z. Bai, J. Yang, K.-I. Okamoto and X. You

Formula: C₁₈H₁₂ClN₅

 

Anticancer Agents. III. 4,4'-(Hexane-1,6-diyl)bis(piperazine-2,6-dione)

Q. Liu, S.-W. Zhang and M.-C. Shao

Formula: C₁₄H₂₂N₄O₄

 

2-(Nitroamino)pyridine

O. Angelova, R. Petrova and V. Atanasov

Formula: C₅H₅N₃O₂

 

5-Amino-3-trifluoromethyl-1H-1,2,4-triazole

O. Ya. Borbulevych, O. V. Shishkin, S. M. Desenko, V. N. Chernenko and V. D. Orlov

Formula: C₃H₃F₃N₄

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