Acta Crystallographica Section C

Crystal Structure Communications

Volume 56, Part 4 (April 2000)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: The bilayer of C-H...[pi]-bonded aromatic rings in 3-phenyl-1-(1-phenylethyl)-4-(1-phenylethyliminomethyl)azetidin-2-one. Only the aromatic C atoms and H atoms involved in the interactions are shown. See Kooijman et al. [Acta Cryst. C56, 481-483].

inorganic compounds


 

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Acta Cryst. (2000). C56, 397-398  [ doi:10.1107/S0108270199013864 ]

Mercury(II) tungstate from neutron powder data

M. B. Åsberg Dahlborg, G. Svensson and T. Ouvarova

Synopsis: The structure of HgWO4 consists of zigzag chains of edge-sharing WO6 and HgO6 octahedra running parallel to the c axis. Hg characteristically forms two short collinear Hg-O bonds.

Formula: HgWO4

Online April 2000


 

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Acta Cryst. (2000). C56, 399-400  [ doi:10.1107/S0108270199014407 ]

Fe2P2O7(H2O)2

H. G. Giesber, M. B. Korzenski, W. T. Pennington and J. W. Kolis

Synopsis: The title compound contains iron(II) octahedrally coordinated by diphosphates and water molecules. The octahedra are connected in such a way that they form channels throughout the structure which contain the coordinated water molecules.

Formula: Fe2P2O7(H2O)

Online April 2000


 

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Acta Cryst. (2000). C56, 401-403  [ doi:10.1107/S0108270199015164 ]

Two forms of aluminium phosphate tridymite from X-ray powder data

H. Graetsch

Synopsis: Rietveld refinements of monoclinic and triclinic AlPO4 tridymites show that their tetrahedral framework structures are isotypic with the silica analogues. The two forms of tridymite differ in distortions of the six-membered rings of tetrahedra, resulting in different superstructures. Both modifications co-exist at room temperature.

Formula: Two forms of AlPO4

Online April 2000


 

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Acta Cryst. (2000). C56, 404-406  [ doi:10.1107/S0108270100000226 ]

Strontium chromium(II) diphosphate, SrCrP2O7

K. Maaß and R. Glaum

Synopsis: SrCrP2O7 belongs to the structure family of [alpha]-Ca2P2O7. It consists of a three-dimensional network of [SrO9], [CrO5] and [P2O7] groups. Lattice constants of the whole series of isotypic compounds SrMP2O7 (M2+ = Cr, Zn or Cd) are compared with respect to the electronic configuration of M2+.

Formula: SrCrP2O7

Online April 2000


metal-organic compounds


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Acta Cryst. (2000). C56, 407-411  [ doi:10.1107/S0108270199015632 ]

The sodium salt of a tris(tridentate anion)gadolinium(III) complex: pentasodium bis[chelidamato(3-)][chelidamato(2-)]gadolinate(III) hexadecahydrate

A. K. Hall, J. M. Harrowfield, B. W. Skelton and A. H. White

Formula: Na5[Gd(C7H2NO5)2(C7H3NO5)]·16H2O

Online April 2000


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Acta Cryst. (2000). C56, 412-413  [ doi:10.1107/S0108270199016339 ]

Reinvestigation of bis(trimethylsilyl)mercury

N. L. Pickett, O. Just, D. G. VanDerveer and W. S. Rees

Formula: [Hg(C3H9Si)2]2

Online April 2000


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Acta Cryst. (2000). C56, 414-415  [ doi:10.1107/S0108270199016509 ]

A novel trinuclear palladium cluster compound: di-[mu]3-chloro-tris[chloro(triphenylphosphine-P)palladium] acetone solvate

K. Sugimoto, T. Kuroda-Sowa, S.-G. Yan, M. Maekawa and M. Munakata

Formula: [Pd3Cl5(C18H15P)3]·C3H6O

Online April 2000


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Acta Cryst. (2000). C56, 416-417  [ doi:10.1107/S0108270199016649 ]

Carbonyl[dihydrobis(pyrazol-1-yl-[kappa]N2)borato]hydridobis(tri-p-tolylphosphine-[kappa]P)ruthenium(II)

S. Huh, Y. J. Park, A. J. Lough and M.-J. Jun

Formula: [RuH(C6H8BN4)(C21H21P)2(CO)]

Online April 2000


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Acta Cryst. (2000). C56, 418-420  [ doi:10.1107/S0108270199016765 ]

Poly[[bis(dimethyl sulfoxide-[kappa]O)tris(thiocyanato-[kappa]N)manganese(II)]-[mu]-thiocyanato-[kappa]2N:S-mercury(II)]

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

Formula: [MnHg(SCN)4(C2H6SO)2]n

Online April 2000


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Acta Cryst. (2000). C56, 421-422  [ doi:10.1107/S010827019901673X ]

Aqua(n-hexyl)[3,3'-(propane-1,3-diyldinitrilo)bis(butan-2-one) dioximato-[kappa]4N]cobalt(III) perchlorate

P. Xiang, Y. Chen, X.-J. Shen, H.-L. Chen and C.-Y. Duan

Formula: [Co(C6H13)(C11H19N4O2)(H2O)]ClO4

Online April 2000


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Acta Cryst. (2000). C56, 423-424  [ doi:10.1107/S0108270199016935 ]

[N,N'-Bis(5-bromosalicylidene)-o-phenylenediaminato]copper(II)

A. Elmali, Y. Elerman and I. Svoboda

Formula: [Cu(C20H12Br2N2O2)]

Online April 2000


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Acta Cryst. (2000). C56, 425-426  [ doi:10.1107/S0108270100000160 ]

One-dimensional polymeric chain structure of bis(aniline)dithiocyanatocadmium(II)

H.-S. Moon, C.-H. Kim and S.-G. Lee

Formula: [Cd(SCN)2(C6H7N)2]

Online April 2000


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Acta Cryst. (2000). C56, 427-429  [ doi:10.1107/S0108270100000263 ]

Salts of two pentahalo(N-donor)bismuthate(III) anions: [BiX5L]2- (X = Cl, Br; L = pyridine, 4-picoline)

S. C. James, Y. G. Lawson, N. C. Norman, A. G. Orpen and M. J. Quayle

Formula: (C5H6N)2[BiCl5(C5H5N)] and (C12H15N2)2[BiBr5(C6H7N)]

Online April 2000


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Acta Cryst. (2000). C56, 430-431  [ doi:10.1107/S0108270100000329 ]

Acetatodiaqua[3-(salicyloylhydrazono)butan-2-one oximato]nickel(II) ethanol solvate

Y. Song, Y. Xu, D.-R. Zhu and X.-Z. You

Formula: [Ni(C11H12N3O3)(C2H3O2)(H2O)2]·C2H6O

Online April 2000


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Acta Cryst. (2000). C56, 432-433  [ doi:10.1107/S0108270100000524 ]

Sodium mycophenolate

G. Rihs, C. Papageorgiou and S. Pfeffer

Formula: Na+·C17H19O6-

Online April 2000


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Acta Cryst. (2000). C56, 434-435  [ doi:10.1107/S0108270100000615 ]

[Sm(NO3)3(TPTZ)(H2O)]·2H2O [TPTZ is 2,4,6-tris(2-pyridyl)-1,3,5-triazine]

M. G. B. Drew, M. J. Hudson, P. B. Iveson and C. Madic

Formula: [Sm(NO3)3(C18H12N6)(H2O)]·2H2O

Online April 2000


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Acta Cryst. (2000). C56, 436-437  [ doi:10.1107/S0108270199013608 ]

A host-guest complex of diaquabis[1-hydroxy-2(1H)-pyridinethionato-O,S]magnesium(II) and 2,2'-dithiobis(pyridine N-oxide)

A. Bond and W. Jones

Formula: [Mg(C5H4NOS)2(H2O)2]·C10H8N2O2S2

Online April 2000


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Acta Cryst. (2000). C56, 438-439  [ doi:10.1107/S0108270100001037 ]

Mixed-chalcogenide double-butterfly complex [{(CO)6Fe2SSe}2{[mu]-C(H)-C(H)}]

K. Panneerselvam, T.-H. Lu, S.-F. Tung, A. K. Dash and P. Mathur

Formula: [Fe4(C2H2S2Se2)(CO)12]

Online April 2000


organic compounds


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Acta Cryst. (2000). C56, 440-444  [ doi:10.1107/S0108270199014778 ]

Three sulfur-containing diborane(4) compounds

N. C. Norman, A. G. Orpen, M. J. Quayle and C. R. Rice

Formula: C8H22B2N2S4·0.33CH2Cl2, C10H14B2N2S10 and C8H4B2S6

Online April 2000


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Acta Cryst. (2000). C56, 445-447  [ doi:10.1107/S0108270199015292 ]

Nouveaux dérivés de N-phtalimido-2-arylepropanoate de pantolactonyle

M. Rolland, M. Calmès, F. Escale and J. Martinez

Formula: C23H20FNO6 et C25H25NO8·0,5C4H8O2

Online April 2000


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Acta Cryst. (2000). C56, 448-450  [ doi:10.1107/S0108270199015620 ]

Chelidamic acid monohydrate: the proton complex of a multidentate ligand

A. K. Hall, J. M. Harrowfield, B. W. Skelton and A. H. White

Formula: C7H5NO5·H2O

Online April 2000


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Acta Cryst. (2000). C56, 451-452  [ doi:10.1107/S010827019901570X ]

cis-Verbenol

J. K. Harper, A. M. Arif and D. M. Grant

Formula: C10H16O

Online April 2000


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Acta Cryst. (2000). C56, 453-454  [ doi:10.1107/S0108270199016753 ]

Neutral bis(ethylenedithio)tetrathiafulvalene at 100 K

P. Guionneau, D. Chasseau, J. A. K. Howard and P. Day

Formula: C10H8S8

Online April 2000


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Acta Cryst. (2000). C56, 455-456  [ doi:10.1107/S0108270199016741 ]

The antiestrogen [2-(4-benzylphenoxy)ethyl]diethylammonium chloride

A. Hempel, N. Camerman, Z. Dauter, D. Mastropaolo and A. Camerman

Formula: C19H26NO+·Cl-

Online April 2000


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Acta Cryst. (2000). C56, 457-458  [ doi:10.1107/S0108270199016923 ]

Flavone-3'-sulfonamide

E. Kendi, S. Özbey, O. Bozdag and R. Ertan

Formula: C15H11NO4S

Online April 2000


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Acta Cryst. (2000). C56, 459-460  [ doi:10.1107/S0108270100000032 ]

Methyl 1-(4-chlorobenzyl)-2-(4-methylpiperazin-1-yl)-1H-benzimidazole-5-carboxylate hemihydrate

S. Özcan, E. Kendi, M. Tunçbilek and H. Göker

Formula: C21H23ClN4O2·0.5H2O

Online April 2000


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Acta Cryst. (2000). C56, 461-462  [ doi:10.1107/S0108270100000020 ]

The fused heterocycle 2-benzyl-3-methyl-1-phenyl-4-phenylsulfonyl-2H,4H-pyrrolo[3,4-b]indole

W. M. Simon, H. A. Trujillo, E. T. Pelkey, G. W. Gribble and J. P. Jasinski

Formula: C30H24N2O2S

Online April 2000


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Acta Cryst. (2000). C56, 463-464  [ doi:10.1107/S0108270100000184 ]

4-Fluoro-2-(phosphonomethyl)benzenesulfonic acid monohydrate

F. Adani, E. Montoneri and P. J. Squattrito

Formula: C7H8FO6PS·H2O

Online April 2000


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Acta Cryst. (2000). C56, 465-468  [ doi:10.1107/S0108270100000214 ]

2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3H)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1H,3H)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trithione

M. Greenberg, V. Shteiman and M. Kaftory

Formula: Four isomers of C6H9N3S3

Online April 2000


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Acta Cryst. (2000). C56, 469-470  [ doi:10.1107/S0108270100000330 ]

N-Carboxy-L-phenylalanine anhydride

H. Kanazawa

Formula: C10H9NO3

Online April 2000


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Acta Cryst. (2000). C56, 471-472  [ doi:10.1107/S0108270100000317 ]

[beta]-Pyridinium dichloroiodide

E. S. Lang, R. A. Burrow and J. Diniz

Formula: C5H6N+·Cl2I-

Online April 2000


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Acta Cryst. (2000). C56, 473-474  [ doi:10.1107/S010827010000072X ]

Two 5-oxa-2,6-diazaspiro[3.4]octan-1-one derivatives from the [3+2] cycloaddition of methylenelactams with nitrones

A. Chiaroni, C. Riche, S. Rigolet, J.-M. Mélot and J. Vebrel

Formula: C22H26N2O2 and C25H22N2O4

Online April 2000


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Acta Cryst. (2000). C56, 475-476  [ doi:10.1107/S0108270100000640 ]

4-[1-(Phenylsulfonyl)indol-3-yl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

R. Sankaranarayanan, D. Velmurugan, S. Shanmuga Sundara Raj, H.-K. Fun, G. Babu and P. T. Perumal

Formula: C26H22N2O2S

Online April 2000


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Acta Cryst. (2000). C56, 477-478  [ doi:10.1107/S0108270100000755 ]

1:1 Hetero-assembly of 2-aminopyrimidine and (+)-camphoric acid

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

Formula: C4H5N3·C10H16O4

Online April 2000


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Acta Cryst. (2000). C56, 479-480  [ doi:10.1107/S0108270100000664 ]

(8-Dimethylamino-1-naphthyl)dimethylammonium 3-carboxy-1,4,5,-6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2-carboxylate hydrate

D. E. Keller, H. Kooijman, A. M. M. Scheurs, J. Kroon and E. Grech

Formula: C14H19N2+·C9H3Cl6O4-·H2O

Online April 2000


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Acta Cryst. (2000). C56, 481-483  [ doi:10.1107/S0108270100000767 ]

(3R,4S)-3-Phenyl-1-[(R)-1-phenylethyl]-4-[(R)-1-phenylethyliminomethyl]azetidin-2-one

H. Kooijman, A. L. Spek, H. Kleijn, H. L. van Maanen, J. T. B. H. Jastrzebski and G. van Koten

Formula: C26H26N2O

Online April 2000


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Acta Cryst. (2000). C56, 484-486  [ doi:10.1107/S0108270100000731 ]

(E)-6-Methoxy-3-([alpha]-methoxybenzylidene)benzo[b]furan-2(3H)-one at 173 K

A. J. Burke, H. W. Schmalle, B. A. Brady and W. I. O'Sullivan

Formula: C17H14O4

Online April 2000


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Acta Cryst. (2000). C56, 487-488  [ doi:10.1107/S0108270100000743 ]

1,2-Ph2-9-I-1,2-closo-C2B10H9

T. D. McGrath, M. A. Fox and A. J. Welch

Formula: C14H19B10I

Online April 2000


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Acta Cryst. (2000). C56, 489-491  [ doi:10.1107/S0108270100000780 ]

7-Iodo-8-aza-7-deaza-2'-deoxyadenosine and 7-bromo-8-aza-7-deaza-2'-deoxyadenosine

F. Seela, M. Zulauf, H. Reuter and G. Kastner

Formula: C10H12IN5O3 and C10H12BrN5O3

Online April 2000


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Acta Cryst. (2000). C56, 492-493  [ doi:10.1107/S0108270100000809 ]

N,N'-Bis(2-tosylaminobenzylidene)benzene-1,2-diamine

J. Mahía, M. A. Maestro, M. Vázquez, M. R. Bermejo, A. M. González and M. Maneiro

Formula: C34H30N4O4S2

Online April 2000


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Acta Cryst. (2000). C56, 494-495  [ doi:10.1107/S0108270100000998 ]

Ethyl 3-(2'-deoxyuridin-5-yl)-3-hydroxy-2-iodopropanoate, a nucleoside analogue

G. Mazumdar, M. De, A. Mukhopadhyay, S. K. Mazumdar, N. Mazumder, A. K. Das and E. E. Knaus

Formula: C14H19IN2O8

Online April 2000


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Acta Cryst. (2000). C56, 496-499  [ doi:10.1107/S0108270100001268 ]

Ammonium N-acetyl-L-threoninate and methylammonium N-acetyl-L-threoninate

R. Puliti and C. A. Mattia

Formula: CH6N+·C6H10NO4- and NH4+·C6H10NO4-

Online April 2000


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Acta Cryst. (2000). C56, 500-502  [ doi:10.1107/S0108270100001463 ]

A new `hydrogen-bond rule' applied to the structure of L-seryl-L-alanine and pairs of dipeptide retroanalogues

C. H. Görbitz

Formula: C6H12N2O4

Online April 2000


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Acta Cryst. (2000). C56, 503-504  [ doi:10.1107/S0108270100001554 ]

1-(3-Methoxybenzoyl)-3,3-diethylthiourea

A. D. Morales, H. Novoa de Armas, N. M. Blaton, O. M. Peeters, C. J. De Ranter, H. Márquez and R. Pomés Hernández

Formula: C13H18N2O2S

Online April 2000


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Acta Cryst. (2000). C56, 505-507  [ doi:10.1107/S0108270199014602 ]

Triterpenoide. XIX. 3[beta]-Hydroxy-11-oxo-18[alpha]-olean-12-en-28-säure-methylester und 3,11-Dioxo-18[alpha]-olean-12-en-28-säure-methylester

A. Gzella

Formula: C31H46O4 und C31H48O4·C2H6O

Online April 2000


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Acta Cryst. (2000). C56, 508-509  [ doi:10.1107/S0108270100001669 ]

1-{5-[2-(Trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}guanidinium chloride

R. W. Janes

Formula: C10H9F3N5S+·Cl-

Online April 2000


addenda and errata


 

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Acta Cryst. (2000). C56, 510  [ doi:10.1107/S0108270100004352 ]

Absolute configuration of exo-syn-syn-dicarbonyl([eta]5-cyclopentadienyl)[(1,2,3-[eta])-(1R,2S,3S)-1-phenylbut-2-en-1-yl]molybdenum(II). Erratum

A. Kuhl, L. J. Farrugia and P. J. Kocienski

Formula: [Mo(C5H5)(C10H11)(CO)2]

Online April 2000


electronic papers (inorganic compounds)


 

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Acta Cryst. (2000). C56, e117  [ doi:10.1107/S0108270100003395 ]

K9CeP4S16, a new thiophosphate of cerium with discrete [Ce(PS4)4]9- anions

G. Gauthier, S. Jobic, V. Danaire, R. Brec and M. Evain

Synopsis: Nonapotassium cerium tetraphosphorus hexadecasulfide is a zero-dimensional material isostructural with the rubidium analogue.

Formula: K9CeP4S16

Online April 2000


electronic papers (metal-organic compounds)


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Acta Cryst. (2000). C56, e118-e119  [ doi:10.1107/S0108270100002894 ]

trans-(Methanol)(methyldiphenylphosphine)bis(pentane-2,4-dionato)cobalt(III) hexafluorophosphate hydrate

T. Suzuki

Synopsis: Recrystallization of trans-[Co(acac)2(PMePh2)(H2O)]PF6 (acac is pentane-2,4-dionato) from aqueous methanol gave purple prisms of the title compound. The molecular structure of the complex cation having a coordinated methanol ligand was revealed with a Co-O(methanol) distance of 2.059 (3) Å.

Formula: [Co(C5H7O2)2(C13H13P)(CH4O)]PF6·H2O

Online April 2000


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Acta Cryst. (2000). C56, e120-e121  [ doi:10.1107/S0108270100003243 ]

Di-[mu]-acetato-O:O'-di-[mu]-acetato-O,O':O'-bis{[(cyclopentadienyl)tris(dimethylphosphito-P)cobalt-O,O',O'']neodymium(III)}

S.-G. Roh and J. H. Jeong

Synopsis: The title Nd compound is isomorphous with the corresponding Y compound, but with a larger unit cell.

Formula: [Co2Nd2(C5H5)2(C2H3O2)4(C2H6O3P)6]

Online April 2000


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Acta Cryst. (2000). C56, e122  [ doi:10.1107/S0108270100003255 ]

[N,N'-Bis(salicylidene)-1,2-diphenyl-(RS,SR)-1,2-ethanediaminato]nickel(II)

G. Hoshina, M. Tsuchimoto and S. Ohba

Synopsis: The coordination geometry around the Ni atom is square planar with a slight tetrahedral distortion. The five-membered chelate ring has a distorted gauche conformation with the phenyl groups in axial and equatorial orientations.

Formula: [Ni(C28H22N2O2)]

Online April 2000


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Acta Cryst. (2000). C56, e123  [ doi:10.1107/S0108270100003358 ]

cis-Diaquabis(trans-cinnamato-O,O')zinc(II)

H. Hosomi, S. Ohba and Y. Ito

Synopsis: The title complex shows a distorted octahedral coordination and has a crystallographic twofold rotation axis. Intermolecular O-H...O hydrogen bonds form a two-dimensional network in the ab plane.

Formula: [Zn(C9H7O2)2(H2O)2]

Online April 2000


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Acta Cryst. (2000). C56, e124-e125  [ doi:10.1107/S0108270100003383 ]

Bis(tetraethylammonium) tetraiodozincate at 150 and 301 K

W. T. A. Harrison, R. A. Howie, J. Skakle and J. L. Wardell

Synopsis: The title compound, (Et4N)[ZnI4], is isostructural with the previously reported tetrabromocadmate, whose coordinates were used as the starting parameters for both of the refinements presented here. The asymmetric unit comprises one anion and three cations, all of which are in special positions. The anion has five nearest-neighbour cations in the form of a square pyramid.

Formula: (C8H20N)2[ZnI4] and (C8H20N)2[ZnI4]

Online April 2000


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Acta Cryst. (2000). C56, e126-e127  [ doi:10.1107/S0108270100003401 ]

Monoclinic and triclinic forms of bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoato-O1,N,N']nickel(II)

B. F. Abrahams, B. F. Hoskins, T. A. Hudson and R. Robson

Synopsis: Both the monoclinic and triclinic forms of the neutral title complex show an octahedral nickel(II) centre coordinated by two facial tridentate pyridylate ligands. The O-donor atoms of each ligand are trans.

Formula: Two forms of [Ni(C12H9N2O3)2]

Online April 2000


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Acta Cryst. (2000). C56, e128-e129  [ doi:10.1107/S0108270100003504 ]

([mu]-C-meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-N-acetato-1[kappa]5N,N',N'',N''',O:2[kappa]O')tetrachloro-1[kappa]Cl,2[kappa]3Cl-cobalt(III)zinc(II)

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

Synopsis: The CoIII ion is six-coordinate in a nearly octahedral environment (one Cl, one O and four N atoms) and the ZnII ion is four-coordinate in a distorted tetrahedral environment (three Cl and one O atom).

Formula: [CoZnCl4(C18H37N4O2)]

Online April 2000


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Acta Cryst. (2000). C56, e130-e131  [ doi:10.1107/S0108270100003516 ]

Tris(8-quinolinolato-N,O)cobalt(III) ethanol solvate

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

Synopsis: The central Co atom of the title complex has a distorted octahedral coordination. The three Co-O bond distances are in the range 1.887 (2)-1.910 (2) Å, while the three Co-N bond distances are in the range 1.919 (2)-1.934 (2) Å. The ethanol solvate molecule is involved in an O-H...O intermolecular hydrogen bond.

Formula: [Co(C9H6NO)3]·C2H6O

Online April 2000


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Acta Cryst. (2000). C56, e132-e133  [ doi:10.1107/S0108270100003838 ]

cis-Dichloro(dimethylaminomethylene)(triphenylphosphine)palladium(II) acetone solvate

R. McCrindle, A. J. McAlees, E. Zang and G. Ferguson

Synopsis: The crystal structure of the title compound contains discrete monomeric molecules of the carbene complex and solvent molecules separated by normal van der Waals distances. The Pd atom is four-coordinate in an essentially square-planar environment, with the chlorine ligands mutually cis; Pd-P = 2.2495 (7), Pd-Cl = 2.3508 (7) and 2.3600 (7), Pd-C = 1.948 (2) and N-C(carbene) = 1.274 (3) Å.

Formula: [PdCl2(C3H7N)(C18H15P)]·C3H6O

Online April 2000


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Acta Cryst. (2000). C56, e134-e135  [ doi:10.1107/S0108270100003899 ]

Bis(isopropylamino)methylcarbenium tetrakis(pentafluorophenyl)gallate

I. A. Guzei, S. Dagorne and R. F. Jordan

Synopsis: The title compound crystallizes as discrete ions, which form interionic hydrogen bonds of the type N-H...F.

Formula: (C8H19N2)[Ga(C6F5)4]

Online April 2000


electronic papers (organic compounds)


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Acta Cryst. (2000). C56, e136-e137  [ doi:10.1107/S0108270100002705 ]

A chiral furocoumarin

F. H. Billiot, D. R. Billodeaux, S. F. Watkins and F. R. Fronczek

Synopsis: In the title, compound, both chiral centers have the an S configuration. Both OH groups and both H atoms of the water molecule form intermolecular hydrogen bonds with O...O distances in the range 2.7686 (18)-2.8717 (18) Å.

Formula: C14H14O5·H2O

Online April 2000


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Acta Cryst. (2000). C56, e138  [ doi:10.1107/S0108270100003231 ]

(2R,3R,4R,5S)-3,4,5-Trihydroxy-2-(2-hydroxyethyl)piperidinium chloride

M. Koman, P. Szolcsányi and T. Gracza

Synopsis: The absolute configuration at the new stereogenic centre, formed during the key step of the total synthesis, was established by X-ray analysis of the title compound.

Formula: C7H16NO4+·Cl-

Online April 2000


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Acta Cryst. (2000). C56, e139  [ doi:10.1107/S0108270100003267 ]

Triethylammonium hydrogen fumarate

H. Hosomi, S. Ohba and Y. Ito

Synopsis: In crystals of the title compound, the hydrogen fumarate anions form one-dimensional chains through O-H...O hydrogen bonding along the c and (a+b)/2 directions. There are three sites of the hydrogen fumarate, two of which have an inversion centre.

Formula: C6H16N+·C4H3O4-

Online April 2000


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Acta Cryst. (2000). C56, e140-e141  [ doi:10.1107/S010827010000336X ]

(-)-(3S)-4-(2-{[4,4-Dimethoxy-6-(benzyloxymethyl)perhydropyran-2-yl]methyl}-1,3-dithian-2-yl)-4-methyl-3-(1,1,2,2-tetramethyl-1-silapropoxy)pentan-1-ol

H. Hosomi, S. Ohba, K. Ohmori, T. Obitsu, Y. Ogawa, Y. Ishikawa, S. Yamamura and S. Nishiyama

Synopsis: The absolute configuration was determined for the title compound, which was prepared in a synthetic study on the natural products bryostatins. There are two independent molecules which show similar conformations, except for the orientation of the methoxy groups.

Formula: C32H56O6S2Si

Online April 2000


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Acta Cryst. (2000). C56, e142-e143  [ doi:10.1107/S0108270100003371 ]

(+)-3-{(4S,5S)-5-[1,1-Dimethyl-2-(phenylthio)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl}prop-2-yn-1-ol

H. Hosomi, S. Ohba, K. Ohmori, T. Obitsu, Y. Ogawa, Y. Ishikawa, S. Yamamura and S. Nishiyama

Synopsis: The absolute configuration was determined for the optically active title compound, which was prepared in a synthetic study on the natural products bryostatins.

Formula: C18H24O3S

Online April 2000


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Acta Cryst. (2000). C56, e144-e146  [ doi:10.1107/S010827010000384X ]

Charge-transfer complexes of N-methyl-, N-isopropyl-, N-butyl- and N-isobutylcarbazole with 3,5-dinitrobenzoic acid

H. Hosomi, S. Ohba and Y. Ito

Synopsis: In the four title compounds, (I)-(IV), respectively, the donor and acceptor molecules are stacked alternately to form one-dimensional columns, but with different relative orientations of the alkyl substituents and thenitro groups.

Online April 2000


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Acta Cryst. (2000). C56, e147-e148  [ doi:10.1107/S0108270100003851 ]

Charge-transfer complexes of N-methyl-and N-ethylcarbazole with 3,5-dinitrobenzonitrile

H. Hosomi, S. Ohba and Y. Ito

Synopsis: In the two title compounds, (I) and (II), respectively, the donor and acceptor molecules are stacked alternately to form one-dimensional columns, but with different relative orientations of the substituents on the donor andacceptor.

Formula: C14H13N·C7H3N3O4 and C13H11N·C7H3N3O4

Online April 2000


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Acta Cryst. (2000). C56, e149-e150  [ doi:10.1107/S0108270100003863 ]

Charge-transfer complexes of 4-(dimethylamino)pyridine with 2,4-, 3,4- and 3,5-dinitrobenzoic acid

H. Hosomi, S. Ohba and Y. Ito

Synopsis: The three title structures, (I)-(III), respectively, consist of 4-(dimethylamino)pyridinium and dinitrobenzoate ions connected by an N-H...O hydrogen bond. Donor-acceptor [pi]-[pi] stacking is observed in (II) and (III), but notin (I).

Formula: Three C7H11N2+·C7H3N2O6- analogues

Online April 2000


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Acta Cryst. (2000). C56, e151  [ doi:10.1107/S0108270100004029 ]

N-Benzyl-N-(2-methoxyphenyl)cyclohex-1-enecarboxamide

H. Hosomi, S. Ohba and H. Aoyama

Synopsis: The title amide does not photocyclize in the solid state. The methoxy group is involved in intermolecular steric interactions and so prevents rotation of the N-phenyl group in the crystal.

Formula: C21H23NO2

Online April 2000


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Acta Cryst. (2000). C56, e152-e153  [ doi:10.1107/S0108270100004030 ]

N-Isopropyl-N-[(E)-2-phenylpropenyl]thiobenzamide and N-isopropyl-3-methoxy-N-[(E)-2-phenylpropenyl]thiobenzamide

H. Hosomi, S. Ohba and H. Aoyama

Synopsis: The crystal structures of the two title thiobenzamides, i.e. (I) and (II), were determined to investigate the relationship between the photoreactivity in solid state and the structure. Their geometry was confirmed to be the E isomer in each case.

Formula: C20H23NOS and C19H21NS

Online April 2000


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Acta Cryst. (2000). C56, e154  [ doi:10.1107/S0108270100004042 ]

N-Methyl-N-[(Z)-2-phenylpropenyl]thiobenzamide

H. Hosomi, S. Ohba and H. Aoyama

Synopsis: The crystal structure of the title thiobenzamide was determined to investigate the relationship between the photoreactivity in solid state and the structure. The geometry was confirmed to be the Z isomer.

Formula: C17H17NS

Online April 2000


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Acta Cryst. (2000). C56, e155  [ doi:10.1107/S0108270100004054 ]

2-Isopropyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline-1-thione

H. Hosomi, S. Ohba and H. Aoyama

Synopsis: The title compound is the photoproduct obtained from N-isopropyl-N-[(E)-2-phenylpropenyl]thiobenzamide. Recrystallization showed a spontaneous resolution.

Formula: C19H21NS

Online April 2000


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Acta Cryst. (2000). C56, e156  [ doi:10.1107/S0108270100003279 ]

A double mesogen based on linked p-terphenyl units

S. Gupta, R. A. Palmer, B. S. Potter, C. S. Frampton, C. Tschierske and S. P. SenGupta

Synopsis: The title compound is a double mesogen in which two rigid p-terphenyl-based units are connected laterally by a carbonate linker. Layers of molecules pack along the a axis, stimulating a smectic A-type arrangement, and on melting, a smectic A phase appears at 388 K and becomes isotropic at 389 K.

Formula: C79H110O7

Online April 2000


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Acta Cryst. (2000). C56, e157-e158  [ doi:10.1107/S0108270100003486 ]

Intermolecular hydrogen bonding of the two independent molecules of N-3,5-dinitrobenzoyl-L-leucine

J. F. Gallagher, P. T. M. Kenny and M. O'Donohoe

Synopsis: N-3,5-Dinitrobenzoyl-L-leucine crystallizes as two independent molecules which differ in their conformation. Intermolecular hydrogen bonding involving (amide)N-H...O=C(acid) and (acid)O-H...O=C(amide) interactions results in a two-dimensional network consisting of hydrogen-bonded rings with graph-set R44(20).

Formula: C13H15N3O7

Online April 2000


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Acta Cryst. (2000). C56, e159  [ doi:10.1107/S0108270100003498 ]

A second polymorphic form of N,N'-diphenyl-1,4-phenylenediamine

I. Boyer, S. Quillard, B. Corraze, P. Deniard and M. Evain

Synopsis: A new polymorphic form of N,N'-diphenyl-1,4-phenylenediamine has been characterized. There are two independent centrosymmetric molecules, both of which are more non-planar than the orthorhombic form.

Formula: C18H16N2

Online April 2000


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Acta Cryst. (2000). C56, e160-e161  [ doi:10.1107/S0108270100003528 ]

2,2'-Spirobi(1,3-benzodithiole)

K. Ueda, M. Iwamatsu, T. Sugimoto, T. Tada and K.-I Nishimura

Synopsis: A high degree of bending of the two five-membered rings in the title compound produces close contacts between two C atoms in each of the benzo groups and one S atom in the other dithiole ring.

Formula: C13H8S4

Online April 2000


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Acta Cryst. (2000). C56, e162-e163  [ doi:10.1107/S0108270100003802 ]

4-Phenylbutan-2-one semicarbazone

A. Degen, S. Rühl and M. Bolte

Synopsis: The title compound crystallizes with two molecules in the asymmetricunit, which are held together by an extended network of hydrogen bonds.Only five of the six theoretically possible hydrogen bonds areformed.

Formula: C11H15N3O

Online April 2000


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Acta Cryst. (2000). C56, e164  [ doi:10.1107/S0108270100003814 ]

1,2,4-Triazolo[2,3-h]-7,9-thiaza-11-crown-4

F. Lazrak, E.-M. Essassi, B. El-Bali and M. Bolte

Synopsis: The 11-membered ring of the title compound, which may be used for complexing metal atoms, adopts a chair conformation of approximate mirror symmetry.

Formula: C8H13N3O2S

Online April 2000


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Acta Cryst. (2000). C56, e165-e166  [ doi:10.1107/S0108270100003826 ]

4-Acetonylidene-1-ethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

M. S. M. S. Ould, B. Djerrari, M. El Abbassi, J. Fifani, E.-M. Essassi, B. El-Bali and M. Bolte

Synopsis: The diazepine ring of the title compound adopts a boat conformation. An intramolecular hydrogen bond is formed between the NH group of the diazepine ring and a carbonyl O atom of one of the side chains.

Formula: C14H16N2O2

Online April 2000


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Acta Cryst. (2000). C56, e167  [ doi:10.1107/S0108270100003875 ]

1,3,5-Tris(chloromethyl)benzene

J. C. Bryan, M. N. Burnett and R. A. Sachleben

Synopsis: The title compound is being used as a platform for new tripodal receptors.Two molecules make up the asymmetric unit and weak intermolecularhydrogen bonding is observed between a methylene H atom and theCl atom of an adjacent molecule; there are also C-H...[pi] interactions.

Formula: C9H9Cl3

Online April 2000


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Acta Cryst. (2000). C56, e168-e169  [ doi:10.1107/S0108270100003887 ]

4-Hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propyl-3,4-dihydroquinazolin-3-yl)-1,2-dihydroquinoline-3-carboxamide

S. V. Shishkina, O. V. Shishkin, I. V. Ukrainets, N. A. Jaradat and O. V. Gorokhova

Synopsis: The two bicyclic fragments of the molecule are planar and are turned with respect to each other by 77.8 (2)°. The formation of intramolecular O-H...O and N-H...O hydrogen bonds causes considerable changes in the bond lengths within the amidopyridine fragment.

Formula: C22H20N4O4

Online April 2000


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