Acta Crystallographica Section C

Crystal Structure Communications

Volume 56, Part 6 (June 2000)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: Conformational preferences in 2-nitrophenylthiolates: S-(2-nitrophenyl) 4-toluenethiosulfonate. Ellipsoids are plotted at the 30% probability level and H atoms are shown as small spheres of arbitrary size. See Low, Glidewell & Wardell [Acta Cryst. C56, 689-691].

inorganic compounds


 

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Acta Cryst. (2000). C56, 623-624  [ doi:10.1107/S0108270100003024 ]

Gd2OSe2

O. Tougait and J. A. Ibers

Synopsis: Gd2OSe2 is the first rare-earth monooxygen diselenide to be characterized structurally. It is isostructural with the low-pressure form of Dy2OS2. Its structure comprises the close packing of Gd-centered bicapped trigonal prisms and Gd-centered distorted octahedra.

Formula: Gd2OSe2

Online June 2000


 

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Acta Cryst. (2000). C56, 625-626  [ doi:10.1107/S0108270100003036 ]

CsTiP2O7

F. Q. Huang and J. A. Ibers

Synopsis: CsTiP2O7 crystallizes in the KAlP2O7 structure type. It has a three-dimensional tunnel structure built by the corner-sharing of distorted TiO6 octahedra and P2O7 pyrophosphate groups. The Cs+ cations are in the tunnels.

Formula: CsTiP2O7

Online June 2000


 

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Acta Cryst. (2000). C56, 627-628  [ doi:10.1107/S0108270100003164 ]

Lanthanum selenite, La2(SeO3)3

W. T. A. Harrison

Synopsis: The new structure of La2(SeO3)3 consists of LaO10 polyhedra and SeO3 pyramids sharing faces, edges and vertices. The three-dimensional structure contains pseudo-channels associated with the SeIV lone pairs.

Formula: La2(SeO3)3

Online June 2000


 

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Acta Cryst. (2000). C56, 629-630  [ doi:10.1107/S0108270100003917 ]

[beta]-K2Cr2O7

S. V. Krivovichev, E. V. Kir'yanova, S. K. Filatov and P. C. Burns

Synopsis: The structure of monoclinic dipotassium dichromate consists of K+ cations and Cr2O72- dimers.

Formula: K2Cr2O7

Online June 2000


 

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Acta Cryst. (2000). C56, 631-632  [ doi:10.1107/S0108270100004078 ]

RbLi2Ga2(BO3)3

J. L. Kissick and D. A. Keszler

Synopsis: The structure of RbLi2Ga2(BO3)3 is an ordered derivative of KZn(BO3)3. It exhibits a three-dimensional framework of BO3 triangles, and LiO4 and GaO4 tetrahedra that isolates the Rb atoms in channels extending along the b axis.

Formula: RbLi2Ga2(BO3)3

Online June 2000


metal-organic compounds


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Acta Cryst. (2000). C56, 633-634  [ doi:10.1107/S0108270100001001 ]

([eta]6-Hexamethylbenzene)(mesidine)ditriflatoruthenium(II)

F. J. Feher, R. K. Baldwin and J. W. Ziller

Formula: [Ru(CF3O3S)2(C12H18)(C9H13N)]

Online June 2000


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Acta Cryst. (2000). C56, 635-636  [ doi:10.1107/S0108270100001293 ]

The bis([eta]5-cyclopentadienyl)methylzirconium(IV) methyltris(pentafluorophenyl)borate ion pair

I. A. Guzei, R. A. Stockland and R. F. Jordan

Formula: [Zr(CH3)(C5H5)2](C19H3BF15)

Online June 2000


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Acta Cryst. (2000). C56, 637-638  [ doi:10.1107/S010827010000161X ]

Polymeric bis(glycolato)cobalt(II)

G. Medina, L. Gasque and S. Bernès

Formula: [Co(C2H3O3)2]

Online June 2000


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Acta Cryst. (2000). C56, 639-641  [ doi:10.1107/S0108270100002547 ]

K2[Mo2O4(C2O4)2(H2O)2]·3H2O

N. Strukan, M. Cindric and B. Kamenar

Formula: K2[Mo2O4(C2O4)2(H2O)2]·3H2O

Online June 2000


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Acta Cryst. (2000). C56, 642-643  [ doi:10.1107/S0108270100002924 ]

Disodium tetrakis(hexanoato-O)zinc(II)

N. Lah, G. Rep, P. Segedin, L. Golic and I. Leban

Formula: Na2[Zn(C6H11O2)4]

Online June 2000


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Acta Cryst. (2000). C56, 644-646  [ doi:10.1107/S010827010000305X ]

20-Dicyanomethylene-5,8,11,14-tetraoxa-2,17-dithiabicyclo[16.4.1]tricosa-1(23),18,21-triene and its mercury(II) dichloride complex

K. Kubo, N. Kato, A. Mori and H. Takeshita

Formula: C20H24N2O4S2 and [HgCl2(C20H24N2O4S2)]

Online June 2000


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Acta Cryst. (2000). C56, 647-648  [ doi:10.1107/S0108270100003188 ]

Manganese mercury thiocyanate (MMTC) glycol monomethyl ether

X. Q. Wang, W. T. Yu, D. Xu, M. K. Lu, D. R. Yuan and G. T. Lu

Formula: [MnHg(NCS)4(C3H8O2)]

Online June 2000


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Acta Cryst. (2000). C56, 649-650  [ doi:10.1107/S0108270100003176 ]

Monomeric bis(2,4-pentanedionato)cobalt(II)

J. Burgess, J. Fawcett, D. R. Russell and S. R. Gilani

Formula: [Co(C5H7O2)2]

Online June 2000


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Acta Cryst. (2000). C56, 651-652  [ doi:10.1107/S0108270100003474 ]

(4,4'-Bipyridine)dichloromanganese(II), a two-dimensional coordination polymer

A. M. Chippindale, A. R. Cowley and K. J. Peacock

Formula: [MnCl2(C10H8N2)]

Online June 2000


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Acta Cryst. (2000). C56, 653-654  [ doi:10.1107/S0108270100003577 ]

cis-[(4R,5R)-4,5-Bis(aminomethyl)-2,2-dimethyl-1,3-dioxolane-N,N'](malonato-O,O')platinum(II), an anticancer agent

S. W. Cho, Y. Cho, D.-K. Kim and W. Shin

Formula: [Pt(C3H2O4)(C7H16N2O2)]

Online June 2000


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Acta Cryst. (2000). C56, 655-658  [ doi:10.1107/S0108270100003942 ]

The NiII, HgII and CuII complexes of 12-membered-ring mixed-donor macrocycles

S. T. Marcus, L. R. Gahan and P. V. Bernhardt

Formula: NiII, HgII and CuII macrocycle complexes

Online June 2000


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Acta Cryst. (2000). C56, 659-660  [ doi:10.1107/S010827010000398X ]

(12-Hydroxymethyl-5,5,7,12,14-pentamethyl-1,4,8,11-tetraazacyclotetradecane-N-acetato-N,N',N'',N''',O,O')cobalt(III) chloride perchlorate monohydrate

K. Panneerselvam, T.-H. Lu, T.-Y. Chi, S.-F. Tung and C.-S. Chung

Formula: [Co(C18H37N4O3)](ClO4)Cl·H2O

Online June 2000


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Acta Cryst. (2000). C56, 661-663  [ doi:10.1107/S0108270100004200 ]

Tris(ethylenediamine-N,N')cobalt(III) oxalate perchlorate dihydrate

J. Cai, Y. Zhang, X. Hu and X. Feng

Formula: [Co(C2H8N2)3](C2O4)(ClO4)·2H2O

Online June 2000


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Acta Cryst. (2000). C56, 664-665  [ doi:10.1107/S0108270100002912 ]

Bis(ferrocenium) bis[tetrachloroantimonate(III)] trichloroantimony(III)

I. A. Razak, S. Shanmuga Sundara Raj, H.-K. Fun, B. M. Yamin and N. Hashim

Formula: [Fe(C5H5)2]2[SbCl4]2[SbCl3]

Online June 2000


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Acta Cryst. (2000). C56, 666-667  [ doi:10.1107/S0108270100003760 ]

(Piperidine-1-carbodithioato-S,S')bis(triphenylphosphine-P)gold(I)

I. A. Razak, S. Shanmuga Sundara Raj, H.-K. Fun, F. Jian, F. Bei, X. Yang, L. Lu and X. Wang

Formula: [Au(C6H10NS2)(C18H15P)2]

Online June 2000


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Acta Cryst. (2000). C56, 668-669  [ doi:10.1107/S0108270100003966 ]

Diamminebis(2,4,6-tribromophenolato-O)copper(II)

L. Tatar, G. Gökagac and D. Ülkü

Formula: [Cu(C6H2Br3O)2(NH3)2]

Online June 2000


organic compounds


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Acta Cryst. (2000). C56, 670-671  [ doi:10.1107/S0108270100000512 ]

Interaction between a dimethylamino group and an electron-deficient alkene in ethyl (E)-2-cyano-3-(8-dimethylamino-1-naphthyl)propenoate

P. C. Bell, M. Drameh, N. Hanly and J. D. Wallis

Formula: C18H18N2O2

Online June 2000


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Acta Cryst. (2000). C56, 672-673  [ doi:10.1107/S0108270100002729 ]

1,4,4-Trimethyl-9-phenyl-8-oxa-9-azabicyclo[3.2.2]non-6-en-2-one

S. Russi, H. Pardo, H. Heinzen, E. Dias, P. Moyna, R. A. Mariezcurrena, L. Suescun and A. W. Mombrú

Formula: C16H19NO2

Online June 2000


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Acta Cryst. (2000). C56, 674-676  [ doi:10.1107/S0108270100002778 ]

(E)-2-Methyl-5-(1-naphthylmethyl)cinnamic acid

R. E. Gerkin

Formula: C21H18O2

Online June 2000


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Acta Cryst. (2000). C56, 677-678  [ doi:10.1107/S0108270100002900 ]

Hydrogen bonds and C-H...O interactions in 2,2'-dimethoxybiphenyl-5,5'-dimethanol at 150 K

R. E. Gerkin

Formula: C16H18O4

Online June 2000


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Acta Cryst. (2000). C56, 679-681  [ doi:10.1107/S0108270100004649 ]

Bis(4-nitrophenyl) disulfide at 150 K, a three-dimensional framework built from C-H...O hydrogen bonds and aromatic [pi]...[pi] stacking interactions

J. L. Wardell, J. N. Low and C. Glidewell

Formula: C12H8N2O4S2

Online June 2000


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Acta Cryst. (2000). C56, 682-683  [ doi:10.1107/S010827010000456X ]

N-Nitrosomelatonin

A. Turjanski, Z. D. Chaia, F. Doctorovich, D. Estrin, R. Rosenstein and O. E. Piro

Formula: C13H15N3O3

Online June 2000


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Acta Cryst. (2000). C56, 684-686  [ doi:10.1107/S0108270100003140 ]

Two strained hexahelicenophanes

H. Meier, M. Schwertel and D. Schollmeyer

Formula: C34H30O2 and C36H34O2

Online June 2000


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Acta Cryst. (2000). C56, 687-688  [ doi:10.1107/S0108270100003152 ]

2-(2-Pyridylimino)-2H-1,2,4-thiadiazolo[2,3-a]pyridine

S. J. Coles, D. Douheret, M. B. Hursthouse and J. D. Kilburn

Formula: C11H8N4S

Online June 2000


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Acta Cryst. (2000). C56, 689-691  [ doi:10.1107/S0108270100003346 ]

Conformational preferences in 2-nitrophenylthiolates: S-(2-nitrophenyl) 4-toluenethiosulfonate

J. N. Low, C. Glidewell and J. L. Wardell

Formula: C13H11NO4S2

Online June 2000


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Acta Cryst. (2000). C56, 692-694  [ doi:10.1107/S0108270100003280 ]

A second monoclinic polymorph of S-(4-tolyl) 4-toluenethiosulfonate at 150 and 293 K

G. Ferguson, C. Glidewell, J. N. Low and J. L. Wardell

Formula: C14H14O2S2 at 150 and 293 K

Online June 2000


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Acta Cryst. (2000). C56, 695-696  [ doi:10.1107/S0108270100003413 ]

An oxazol-5(4H)-one from benzyloxycarbonyl-(Aib)4-OH

M. Crisma, F. Formaggio and C. Toniolo

Formula: C24H34N4O6

Online June 2000


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Acta Cryst. (2000). C56, 697-699  [ doi:10.1107/S0108270100003449 ]

4-Hydroxy-ONN-azoxybenzene

K. Ejsmont, A. Domanski, J. Kyziol and J. Zaleski

Formula: C12H10N2O2

Online June 2000


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Acta Cryst. (2000). C56, 700-701  [ doi:10.1107/S0108270100003681 ]

Octa-O-acetyl-[beta],[beta]-thiotrehalose

M. Färnbäck, L. Eriksson and G. Widmalm

Formula: C28H38O18S

Online June 2000


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Acta Cryst. (2000). C56, 702-704  [ doi:10.1107/S0108270100003589 ]

Methyl 4-O-[beta]-L-fucopyranosyl [alpha]-D-glucopyranoside hemihydrate

L. Eriksson, R. Stenutz and G. Widmalm

Formula: C13H24O10·0.5H2O

Online June 2000


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Acta Cryst. (2000). C56, 705-707  [ doi:10.1107/S010827010000353X ]

2-(1,3-Dithian-2-yl)benzaldehyde and N-{2-[2-(1,3-dioxan-2-yl)phenoxy]ethyl}phthalimide

P. G. Jene and J. A. Ibers

Formula: C11H12OS2 and C20H19NO5

Online June 2000


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Acta Cryst. (2000). C56, 708-710  [ doi:10.1107/S0108270100003590 ]

Intermolecular interactions and molecular geometry in molecular complexes of N,N-dimethylaniline: the 1:1 complex with 1,2,4,5-tetracyanobenzene

T. Dahl

Formula: C8H11N·C10H2N4

Online June 2000


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Acta Cryst. (2000). C56, 711-713  [ doi:10.1107/S0108270100003565 ]

New limonoids from Harrisonia perforata (Blanco) Merr.

A. Chiaroni, C. Riche, Q. Khuong-Huu, H. Nguyen-Ngoc, K. Nguyen-Viet and F. Khuong-Huu

Formula: C27H32O9 and C27H34O10

Online June 2000


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Acta Cryst. (2000). C56, 714-715  [ doi:10.1107/S0108270100003541 ]

The conversion of a pyrrole trimer derivative into a 4,5,6,7-tetrahydro-4-(pyrrol-2-yl)indol-7-yltosylaminoindole

Y. Zhao, M. Helliwell and J. A. Joule

Formula: C21H21N3O4S

Online June 2000


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Acta Cryst. (2000). C56, 716-717  [ doi:10.1107/S0108270100004121 ]

Self-assembly of 2-pivaloyl-6-chloropterin

S. Goswami, R. Mukherjee, K. Ghosh, I. A. Razak, S. Shanmuga Sundara Raj and H.-K. Fun

Formula: C11H12ClN5O2

Online June 2000


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Acta Cryst. (2000). C56, 718-719  [ doi:10.1107/S0108270100003978 ]

1,4-Bis(2-benzimidazolyl)benzene

F. Bei, F. Jian, X. Yang, L. Lu, X. Wang, S. Shanmuga Sundara Raj and H.-K. Fun

Formula: C20H14N4

Online June 2000


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Acta Cryst. (2000). C56, 720-722  [ doi:10.1107/S0108270100003929 ]

Zwitterionic pyrrolidine-2,2-diylbis(phosphonic acid) at 100, 150 and 293 K

G. Olive, D. D. Ellis, D. Siri, F. Le Moigne, M. Lutz, A. L. Spek, P. Tordo and J.-P. Reboul

Formula: C4H11NO6P2 at 100, 150 and 293 K

Online June 2000


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Acta Cryst. (2000). C56, 723-725  [ doi:10.1107/S0108270100004066 ]

1-tert-Butyl-2-methylphospholane-borane and its coupling product 2,2'-bis(1-tert-butylphospholane-borane)

A. Ohashi and T. Imamoto

Formula: C9H22BP and C16H38B2P2

Online June 2000


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Acta Cryst. (2000). C56, 726-728  [ doi:10.1107/S0108270100001220 ]

The oxidized form of nicotinamide adenine dinucleotide

B. Guillot, C. Jelsch and C. Lecomte

Formula: C21H27N7O14P2·4H2O

Online June 2000


electronic papers (inorganic compounds)


 

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Acta Cryst. (2000). C56, e228-e229  [ doi:10.1107/S0108270100006053 ]

Rinneite, K3Na[FeCl6], at 293, 84 and 9.5 K

B. N. Figgis, A. N. Sobolev, E. S. Kucharski and V. Broughton

Synopsis: Precise X-ray structure determinations of K3Na[FeCl6] have been performed at 293, 84 and 9.5 K.

Formula: K3Na[FeCl6]

Online June 2000


 

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Acta Cryst. (2000). C56, e230-e231  [ doi:10.1107/S0108270100006442 ]

Magnesium sulfate hexahydrate at 120 K

A. S. Batsanov

Synopsis: The title structure was redetermined at 120 K, confirming the hydrogen-bond pattern found at room temperature, but showing the librational corrections of bond lengths to be unrealistic. The octahedral coordination of Mg atoms is slightly distorted due to hydrogen bonding.

Formula: [Mg(H2O)6]SO4

Online June 2000


 

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Acta Cryst. (2000). C56, e232  [ doi:10.1107/S0108270100006855 ]

Potassium barium bismuth oxide

G. Derrien, M. Tillard, L. Monconduit and C. Belin

Synopsis: Crystals of KBa4Bi3O have been obtained from melting of the elements. The structure contains Bi24- dumbbells [Bi-Bi = 3.113 (3) Å] and isolated Bi3- anions coordinated by K and Ba atoms. O atoms lie at the centres of Ba tetrahedra.

Formula: KBa4Bi3O

Online June 2000


electronic papers (metal-organic compounds)


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Acta Cryst. (2000). C56, e233-e235  [ doi:10.1107/S010827010000603X ]

Four copper(II) complexes with potentially tetradentate tripodal ligands

Y. Kani, S. Ohba, S. Ito and Y. Nishida

Synopsis: The four title CuII compounds, namely [Cu(fpy)Cl]ClO4, [Cu(etpa)Cl][CuCl4]1/2, [Cu(mopy)Cl]ClO4 and [Cu(pipy)Cl]PF6, where fpy is (2-furylmethyl)bis(2-pyridylmethyl)amine, etpa is 2-[bis(2-pyridylmethyl)amino]ethanolate, mopy is (2-morpholinoethyl)bis(2-pyridylmethyl)amine and pipy is (2-piperidinylethyl)bis(2-pyridylmethyl)amine, have potentially tetradentate tripodal ligands. In [Cu(fpy)Cl]ClO4 (shown opposite), the O atom of the furan moiety coordinates weakly to the Cu atom at a distance of 2.750 (3) Å.

Online June 2000


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Acta Cryst. (2000). C56, e236-e237  [ doi:10.1107/S0108270100006089 ]

Tribenzyl{[eta]5-[2-(p-tolyl)prop-2-yl]cyclopentadienyl}zirconium

J. Saßmannshausen, J. Rust and R. Goddard

Synopsis: The title compound crystallizes from light petroleum with two independent molecules in the asymmetric unit. In both molecules, one of the three benzyl ligands is [eta]2-bonded to the Zr atom, indicated by the smallest Zr-CH2Ph angle and the consequently relatively short Zr...Cipso distance.

Formula: [Zr(C7H7)3(C15H17)]

Online June 2000


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Acta Cryst. (2000). C56, e238-e239  [ doi:10.1107/S0108270100006107 ]

Tris(1,10-phenanthroline-N,N')chromium(III) triperchlorate hydrate

R. L. Luck, P. Gawryszewska and J. P. Riehl

Synopsis: The structure of the cation in the title compound consists of the Cr atom bonded to the N atoms of the three 1,10-phenanthroline ligands, resulting in a distorted octahedral arrangement with the six Cr-N distances ranging from 2.040 (4) to 2.055 (4) Å. One of the perchlorate anions is disordered and is located around two special positions.

Formula: [Cr(C12H8N2)3](ClO4)3·H2O

Online June 2000


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Acta Cryst. (2000). C56, e240-e241  [ doi:10.1107/S0108270100006119 ]

[mu]-Terephthalato-bis[bis(1,10-phenanthroline)copper(I)] diperchlorate

D. Sun, R. Cao, Y. Liang, M. Hong, W. Su and J. Weng

Synopsis: The title compound is a centrosymmetric dimer. The terephthalate moiety acts as a bridging ligand and the phenanthrolines as terminal ligands. The unique Cu atom is coordinated by two O and four N atoms in a distorted octahedral geometry, with Cu-O distances of 1.955 (2) and 2.815 (2) Å, and Cu-N distances of 2.008 (2)-2.216 (2) Å.

Formula: [Cu2(C8H4O4)(C12H8N2)4](ClO4)2

Online June 2000


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Acta Cryst. (2000). C56, e242-e244  [ doi:10.1107/S0108270100006132 ]

cis-Bis(dicyanamido)bis(1,10-phenanthroline)manganese(II) and cis-bis(dicyanamido)bis(1,10-phenanthroline)zinc(II)

Z.-M. Wang, J. Luo, B.-W. Sun, C.-H. Yan, C.-S. Liao and S. Gao

Synopsis: The isomorphous title compounds, (I) and (II), respectively, are monomeric and show distorted octahedral coordination with the monodentate dicyanamide ligands in cis positions. In both molecules, the metal-N(phenanthroline) bonds trans to the dicyanamide ligands are significantly longer than the other two.

Formula: [Zn(C12H8N2)2(C2N3)2] and [Mn(C12H8N2)2(C2N3)2]

Online June 2000


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Acta Cryst. (2000). C56, e245-e246  [ doi:10.1107/S0108270100006144 ]

(o-Benzoquinone diimine-N,N')dichlorobis(triphenylphosphine-P)ruthenium(II) 1.33-methanol 0.33-dichloromethane solvate

D. Venegas-Yazigi, H. Mirza, A. B. P. Lever, A. J. Lough, J. Costamagna, A. Vega and R. Latorre

Synopsis: The Ru atom in the title complex shows an octahedral coordination and a trans arrangement of the triphenylphosphine ligands. The observed bond lengths indicate a quinone rather than a diamide form for the o-benzoquinone diimine ligand. The complex molecule, in a special position, has crystallographic twofold symmetry.

Formula: [RuCl2(C18H15P)2(C6H6N2)]·1.33CH4O·0.33CH2Cl2

Online June 2000


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Acta Cryst. (2000). C56, e247-e248  [ doi:10.1107/S0108270100006314 ]

(Acetonitrile-N)(o-benzoquinone diimine-N,N')chloro-trans-bis(triphenylphosphine-P)ruthenium(II) hexafluorophosphate 0.25-hydrate

D. Venegas-Yazigi, H. Mirza, A. B. P. Lever, A. J. Lough, J. Costamagna and R. Latorre

Synopsis: The Ru atom in the title complex shows an octahedral coordination. The Cl- ion and the acetonitrile molecule are in the same plane as the o-benzoquinone diimine ligand, and the triphenylphosphine ligands are trans. Bond distances for the benzoquinone diimine ring establish a quinone arrangement.

Formula: [RuCl(C2H3N)(C6H6N2)(C18H15P)2]PF6·0.25H2O

Online June 2000


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Acta Cryst. (2000). C56, e249-e250  [ doi:10.1107/S0108270100006600 ]

Hexaaquacobalt(II) bis(4-toluenesulfonate)

S. Cabaleiro-Martínez, J. Castro, J. Romero, J. A. García-Vázquez and A. Sousa

Synopsis: The title compound consists of a hexaaquacobalt(II) cation and 4-toluenesulfonate anions, with no direct coordination of the anion to cobalt. The Co atom, in an octahedral geometry, is on a centre of inversion. The supramolecular structure consists of parallel layers of cations and anions. The anions are arranged with their sulfonate groups directed towards the cation layer in an alternating fashion and form hydrogen bonds with the water molecules of the cation.

Formula: [Co(H2O)6](C7H7O3S)2

Online June 2000


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Acta Cryst. (2000). C56, e251-e252  [ doi:10.1107/S0108270100006843 ]

Tricarbonyl[(6a,7,8,9,10a-[eta])-3,3-dimethyl-3H-benzo[f]chromene]chromium

G. Pèpe, P. Hannesschlager and P. Brun

Synopsis: The title compound is photochromic. Comparison with related complexes indicates that complexation with tricarbonylchromium has only minor effects on the structure of the chromene.

Formula: [Cr(C15H14O)(CO)3]

Online June 2000


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Acta Cryst. (2000). C56, e253-e254  [ doi:10.1107/S0108270100006041 ]

Dysobinin, a tetranortriterpenoid

S. Sarkhel, G. K. Jain, S. Singh, H. S. Subramanya and P. R. Maulik

Synopsis: Our analysis of the title compound establishes its relative stereochemistry. The planar furan ring is twisted with respect to the steroid D ring and the crystal structure is stabilized by C-H...O hydrogen bonds and van der Waals interactions.

Formula: C30H38O6

Online June 2000


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Acta Cryst. (2000). C56, e255-e256  [ doi:10.1107/S0108270100006065 ]

Two hydrochlorides of 7-methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene

C. Lodeiro, R. Bastida, A. Macías, A. Rodríguez and A. Saint-Maurice

Synopsis: The X-ray structure determinations of the dihydrochloride monohydrate, (I), and the trihydrochloride, (II), of 7-methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene are reported. Protonation occurs at the secondary amine N atoms in (I) and at all the three amine N atoms in (II) to which the Cl- ions are linked via N-H...Cl hydrogen bonds.

Formula: C14H27N43+·2.826Cl-·0.174NO3- and C14H26N42+·2Cl-·H2O

Online June 2000


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Acta Cryst. (2000). C56, e257-e258  [ doi:10.1107/S0108270100006077 ]

Dimethylphenylsulfonium trifluoromethanesulfonate and methyldiphenylsulfonium trifluoromethanesulfonate

K. Schulze-Matthäi, J. Bendig, P. Neubauer and B. Ziemer

Synopsis: Sulfonium salts are known as photo acid generators (PAG) and have found a wide range of uses in photo-optical applications. Comparing the cations in the title compounds, (I) and (II), respectively, there is no significant effect of the methyl/phenyl substituents on the bonding characteristics of the central S atom. As expected, in both cations, the S-Ph bonds are somewhat shorter than the S-Me bonds and the interactions between cations and anions, in both crystal structures, are similar.

Formula: C8H11S+·CF3SO3- and C13H13S+·CF3SO3-

Online June 2000


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Acta Cryst. (2000). C56, e259  [ doi:10.1107/S0108270100006090 ]

[Tris(4-tolyl)methyl]benzene

R. K. R. Jetti and A. Nangia

Synopsis: The crystal structure of the title compound in the monoclinic space group C2/c has a columnar packing arrangement with a 7.20 Å axis, a feature common to several tetraphenylmethanes.

Formula: C28H26

Online June 2000


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Acta Cryst. (2000). C56, e260-e261  [ doi:10.1107/S0108270100006120 ]

1,3-Propanediammonium bis(3'-nitro-trans-cinnamate) and trans-1,2-cyclohexanediammonium bis(3'-nitro-trans-cinnamate)

H. Hosomi, S. Ohba and Y. Ito

Synopsis: In the two title adducts, (I) and (II), respectively, hydrogen bonds between the diammonium and carboxylate ions form a two-dimensional network parallel to the ab plane in (I) and one-dimensional chains along the c axis in (II). The cyclohexanediammonium ion in (II) has a crystallographic twofold axis.

Formula: C6H16N22+·2C9H6NO4- and C3H12N22+·2C9H6NO4-

Online June 2000


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Acta Cryst. (2000). C56, e262  [ doi:10.1107/S0108270100006156 ]

Tris(2-cyanoethyl)amine

A.-W. Xu, Y.-P. Cai, C.-Y. Su and H.-K. Liu

Synopsis: The title compound adopts a conformation with three cyanoethyl groups oriented in the same direction, suggesting the compound may behave as a potential tripodal ligand.

Formula: C9H12N4

Online June 2000


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Acta Cryst. (2000). C56, e263-e264  [ doi:10.1107/S0108270100006326 ]

Ferroelastic n-butylammonium dihydrogenphosphate

J. Fábry, I. Císarová and J. Kroupa

Synopsis: n-Butylammonium dihydrogen phosphate is ferroelastic. Ferroelastic switching is concomitant with the hopping of some H atoms involved in hydrogen bonds from donor to acceptor O atoms.

Formula: C4H12N+·H2PO4-

Online June 2000


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Acta Cryst. (2000). C56, e265-e266  [ doi:10.1107/S0108270100006430 ]

3-Acetoxycyclohex-4-ene-1,2-dicarboxylic anhydride

A. R. Kennedy, A. I. Khalaf and C. J. Suckling

Synopsis: The title compound was found to exist as the endo-cis isomer with a pair of enantiomers in the asymmetric unit. The cyclohexene ring is folded about the methylene-to-CH(acetoxy) vector to give a boat conformation.

Formula: C10H10O5

Online June 2000


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Acta Cryst. (2000). C56, e267  [ doi:10.1107/S0108270100006508 ]

(R)-(+)-2,2'-Bis(diphenylphosphinoyl)-1,1'-binaphthyl

K. A. Bunten, D. H. Farrar and A. J. Lough

Synopsis: The title compound (BINAP oxide) was synthesized by direct oxidation of (R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl (BINAP) with tert-butyl hydroperoxide in toluene solution. The angle between the naphthyl planes of the binaphthyl group is 94.17 (3)°.

Formula: C44H32O2P2

Online June 2000


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Acta Cryst. (2000). C56, e268  [ doi:10.1107/S0108270100006612 ]

1-(2-Hydroxy-4,6-dimethylphenyl)ethanone

L. Armelao, G. Depaoli and A. Dolmella

Synopsis: The air-stable title compound was obtained by heating liquid acetylacetone with solid triphenylbismuth and was recrystallized from benzene. The product has two symmetry-equivalent but essentially identical molecules in the asymmetric unit, both showing an intramolecular O-H...O hydrogen bond.

Formula: C10H12O2

Online June 2000


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Acta Cryst. (2000). C56, e269-e270  [ doi:10.1107/S0108270100006636 ]

3,5-Difluoro-4-nitropyridine N-oxide and 3,5-diamino-4-nitropyridine N-oxide monohydrate

A. S. Batsanov

Synopsis: In the molecules of the title compounds, (I) and (II), respectively, that of (I) is twisted around the C-NO2 bond by 38.5 (1)°, while that of (II) adopts a planar conformation stabilized by intramolecular hydrogen bonds, with a significant redistribution of [pi] electrons.

Formula: C5H2F2N2O3 and C5H6N4O3·H2O

Online June 2000


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Acta Cryst. (2000). C56, e271-e272  [ doi:10.1107/S0108270100006867 ]

Diethyl 9,10-dihydro-9,10-ethanoanthracene-11,12-trans-dicarboxylate

D. Winicker and M. Bolte

Synopsis: The title compound is the product of the Diels-Alder reaction of anthracene with fumaric acid diethyl ester. The molecular C2 symmetry is nearly fulfilled in the crystal. Only the terminal torsion angles about the O-CH2 groups show significant differences.

Formula: C22H22O4

Online June 2000


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Acta Cryst. (2000). C56, e273  [ doi:10.1107/S0108270100007034 ]

Dichloromaleic anhydride

A. J. Blake, R. M. T. Griffiths, S. M. Howdle and C. Wilson

Synopsis: Molecules of the title compound possess approximate non-crystallographic C2v symmetry, which is broken by the two chlorine substituents deviating from the ring plane. The closest intermolecular contacts are of 2.888 (2) Å between a carbonyl O atom and the C atom of a carbonyl group, forming chains of molecules.

Formula: C4Cl2O3

Online June 2000


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Acta Cryst. (2000). C56, e274-e275  [ doi:10.1107/S0108270100007046 ]

Pyridine-4-carbaldehyde azine

S. Shanmuga Sundara Raj, H.-K. Fun, J. Zhang, R.-G. Xiong and X.-Z. You

Synopsis: In the crystal structure of the title compound, the pyridine ring makes a dihedral angle of 1.12 (9)° with the mean plane of the complete almost planar and crystallographically centrosymmetric molecule. There are stacks of parallel molecules along the a-axis direction, with alternate stacks having a herring-bone arrangement relative to each other and an interplanar spacing of 3.551 Å.

Formula: C12H10N4

Online June 2000


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Acta Cryst. (2000). C56, e276-e277  [ doi:10.1107/S0108270100007241 ]

3-Acetyl-4-benzoyl-2-methyl-5-phenyl-3,3a-dihydropyrazolo[2,3-c]pyrimidine-7(6H)-thione

M. Akkurt, S. Öztürk, H.-K. Fun, Z. Önal and B. Altural

Synopsis: The molecule of the title compound is not planar. The dihedral angle between the two phenyl rings is 27.46 (7)° and in the dihydropyrazolopyrimidine ring the total puckering amplitude QT is 0.526 (3) Å. The structure is stabilized by both intra- and intermolecular C-H...O interactions, and by an intermolecular N-H...S hydrogen bond.

Formula: C22H19N3O2S

Online June 2000


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