Acta Crystallographica Section C

Crystal Structure Communications

Volume 56, Part 11 (November 2000)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: Packing diagram for the low-temperature phase of tetraphenylphosphonium perchlorate. All Ph4P+ cations are crystallographically identical. Ellipsoids are shown at the 50% probability level. See Batten, Harris & Murray [Acta Cryst. (2000), C56, 1394-1395].

inorganic compounds


 

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Acta Cryst. (2000). C56, 1289-1291  [ doi:10.1107/S0108270100008763 ]

Na2Fe(CN)5(NO)·2D2O at 11 and 293 K by X-ray, and at 15 K by neutron diffraction

A. J. Schultz, B. N. Figgis and A. N. Sobolev

Synopsis: Precise X-ray and neutron structural determinations of Na2Fe(CN)5(NO)·2D2O performed at very low temperatures are presented. The X-ray and neutron diffraction positional and atomic displacement parameters agree very well. The [Fe(CN)5(NO)]2- anion has approximate octahedral stereochemistry.

Formula: Na2Fe(CN)5(NO)·1.45D2O·0.55H2O

Online November 2000


 

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Acta Cryst. (2000). C56, 1292-1293  [ doi:10.1107/S010827010000977X ]

Bismuth(V) iron(III) tris(phosphate) oxide

A. Benabad, K. Bakhous, F. Cherkaoui and E. M. Holt

Synopsis: BiV0.4FeIII3O(PO4)3 exists as a branched polymeric chain of Fe atoms singly or doubly bridged by oxo and phosphate O atoms, in between which are found Bi sites.

Formula: Bi0.4Fe3O(PO4)3

Online November 2000


 

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Acta Cryst. (2000). C56, 1294-1295  [ doi:10.1107/S0108270100011239 ]

Sodium trivanadium(III) bis(sulfate) hexahydroxide

A. Dobley, P. Y. Zavalij and M. S. Whittingham

Synopsis: In the title compound, octahedrally coordinated vanadium and tetrahedral sulfate ions share corners to form layers that are held together by hydrogen bonds and by sodium ions, which are located between the layers.

Formula: NaV3(SO4)2(OH)6

Online November 2000


metal-organic compounds


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Acta Cryst. (2000). C56, 1296-1297  [ doi:10.1107/S0108270100011264 ]

Bis(di-tert-butylthiophosphinic isopropylamidato-N,S)nickel(II)

W. Kuchen and H. Wunderlich

Formula: [Ni(C11H25NPS)2]

Online November 2000


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Acta Cryst. (2000). C56, 1298-1299  [ doi:10.1107/S0108270100009008 ]

Dichlorobis[2-(o-tolyliminiomethyl)phenolato-O]zinc(II)

D. Ülkü, C. Arici, M. N. Tahir and O. Atakol

Formula: [ZnCl2(C14H13NO)2]

Online November 2000


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Acta Cryst. (2000). C56, 1300-1301  [ doi:10.1107/S0108270100010362 ]

Tetrameric indium trichloride, a new modification of a widely used compound

P. Müller, I. Usón, J. Prust and H. W. Roesky

Formula: [In4Cl12(C4H11N)6]

Online November 2000


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Acta Cryst. (2000). C56, 1302-1304  [ doi:10.1107/S0108270100010428 ]

[N,N'-Bis(5-bromosalicylidene)-1,3-diaminopropane]nickel(II) and [N,N'-bis(5-chlorosalicylidene)-1,3-diaminopropane]copper(II)

A. Elmali, C. T. Zeyrek, Y. Elerman and I. Svoboda

Formula: [Ni(C17H14Br2N2O2)] and [Cu(C17H14Cl2N2O2)]

Online November 2000


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Acta Cryst. (2000). C56, 1305-1307  [ doi:10.1107/S010827010001043X ]

Polymeric diaquatetra-[mu]-thiocyanato-manganese(II)mercury(II) bis(N,N-dimethylacetamide) solvate

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

Formula: [MnHg(SCN)4(H2O)2]·2C4H9NO

Online November 2000


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Acta Cryst. (2000). C56, 1308-1309  [ doi:10.1107/S0108270100010842 ]

(Ethanol-O)tris(nitrato-O,O')bis(triphenylphosphine oxide-O)cerium(III)

W. Levason, E. H. Newman and M. Webster

Formula: [Ce(NO3)3(C2H6O)(C18H15OP)2]

Online November 2000


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Acta Cryst. (2000). C56, 1310-1311  [ doi:10.1107/S0108270100011215 ]

High-temperature phase of trans-tetraaquabis(trifluoroacetato-O)manganese(II)

Z. Olejnik and T. Lis

Formula: [Mn(C2F3O2)2(H2O)4]

Online November 2000


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Acta Cryst. (2000). C56, 1312-1313  [ doi:10.1107/S0108270100011392 ]

Bis(acridine-N)(nitrato-O,O')silver(I)

I. Sloufova and M. Slouf

Formula: [Ag(NO3)(C13H9N)2]

Online November 2000


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Acta Cryst. (2000). C56, 1314-1315  [ doi:10.1107/S0108270100011598 ]

Bis(1,5-diazacyclooctane-N,N')nickel(II) dibromide

M. Du, X.-H. Bu, X.-B. Leng, Y.-M. Guo and R.-H. Zhang

Formula: [Ni(C6H14N2)2]Br2

Online November 2000


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Acta Cryst. (2000). C56, 1316-1318  [ doi:10.1107/S0108270100011483 ]

(Benzoxazole-2-thiolato-S)(benzoxazole-2-thione-S)bis(triphenylphosphine)copper(I)

T. Nakahodo, E. Horn and E. R. T. Tiekink

Formula: [Cu(C7H4NOS)(C7H5NOS)(C18H15P)2]

Online November 2000


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Acta Cryst. (2000). C56, 1319-1320  [ doi:10.1107/S0108270100011586 ]

Bis[N-phenyl(dicyclohexylthiophosphinoyl)thiomethanamido-S,S']copper(II)

E. Horn, K. Kurosawa and E. R. T. Tiekink

Formula: [Cu(C19H27NPS2)2]

Online November 2000


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Acta Cryst. (2000). C56, 1321-1322  [ doi:10.1107/S0108270100011628 ]

Intra- and intermolecular C-H...[pi] interactions in bis[benzyl 3-(fluoren-9-ylidene)dithiocarbazato-N3,S]nickel(II)

S. Shanmuga Sundara Raj, H.-K. Fun, J. Wu, Y.-P. Tian, F.-X. Xie, Z.-H. Shao and S.-L. Li

Formula: [Ni(C21H15N2S2)2]

Online November 2000


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Acta Cryst. (2000). C56, 1323-1325  [ doi:10.1107/S0108270100011641 ]

Two isostructural triboluminescent lanthanide complexes

W. Clegg, I. Sage, I. Oswald, P. Brough and G. Bourhill

Formula: [Tb(C11H19O2)3(C7H10N2)] and [Sm(C11H19O2)3(C7H10N2)]

Online November 2000


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Acta Cryst. (2000). C56, 1326-1329  [ doi:10.1107/S0108270100011793 ]

Triazidocobalt(III) complexes with tridentate amine ligands

H. Chun and I. Bernal

Formula: [Co(N3)3(C7H19N3)], two forms of [Co(N3)3(C5H15N3)] and [Co(N3)3(C6H17N3)]

Online November 2000


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Acta Cryst. (2000). C56, 1330-1331  [ doi:10.1107/S0108270100010192 ]

Tris(2,6-di-tert-butyl-4-methylphenolato-O)(triphenylphosphine oxide-O)samarium(III)

Y.-M. Yao, Q. Shen and K.-B. Yu

Formula: [Sm(C15H23O)3(C18H15OP)]

Online November 2000


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Acta Cryst. (2000). C56, 1332-1333  [ doi:10.1107/S0108270100010465 ]

cis-Dichloro(dimethyl sulfoxide-S)(2-methoxypyridine-N)platinum(II)

G. M. Arvanitis, C. E. Holmes, D. G. Johnson and M. Berardini

Formula: [PtCl2(C6H7NO)(C2H6OS)]

Online November 2000


organic compounds


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Acta Cryst. (2000). C56, 1334-1335  [ doi:10.1107/S0108270100009823 ]

4,5-Diazafluoren-9-ol

C. Tu, D.-R. Zhu, Y. Xu, X.-K. Ke and Z.-J. Guo

Formula: C11H8N2O

Online November 2000


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Acta Cryst. (2000). C56, 1336-1337  [ doi:10.1107/S0108270100009914 ]

Terephthalaldehyde bis(thiosemicarbazone) bis(dimethylformamide) solvate

D.-H. Wu, C. He, C.-Y. Duan and X.-Z. You

Formula: C10H12N6S2·2C3H7NO

Online November 2000


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Acta Cryst. (2000). C56, 1338-1342  [ doi:10.1107/S0108270100010131 ]

Diels-Alder adducts of maleic anhydride and dienes: new compounds by crystallization

M. Bolte, A. Degen and E. Egert

Formula: Five Diels-Alder adducts

Online November 2000


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Acta Cryst. (2000). C56, 1343-1345  [ doi:10.1107/S0108270100010349 ]

Tetracycline hydrochloride: a synchrotron microcrystal study

W. Clegg and S. J. Teat

Formula: C22H25N2O8+·Cl-

Online November 2000


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Acta Cryst. (2000). C56, 1346-1347  [ doi:10.1107/S0108270100010416 ]

Ethyl methyl 1,4-dihydro-4-(3-nitrophenyl)-2,6-bis(1-piperidylmethyl)pyridine-3,5-dicarboxylate

J. Duque, H. Novoa de Armas, R. Pomés Hernández, M. Suárez Navarro, E. Ochoa Rodríguez, E. Salfrán, Y. Verdecia Reyes, N. M. Blaton, O. M. Peeters and C. J. De Ranter

Formula: C28H38N4O6

Online November 2000


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Acta Cryst. (2000). C56, 1348-1350  [ doi:10.1107/S0108270100010441 ]

3-Hydroxybenzaldehyde

J. A. Paixão, A. Matos Beja, M. Ramos Silva, L. Alte da Veiga and A. C. Serra

Formula: C7H6O2

Online November 2000


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Acta Cryst. (2000). C56, 1351-1353  [ doi:10.1107/S0108270100010453 ]

Tetrakis(diethylamino)phosphonium bromide hemihydrate

Y. Liu, M. O. Fletcher and F. R. Fronczek

Formula: C16H40N4P+·Br-·0.5H2O

Online November 2000


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Acta Cryst. (2000). C56, 1354-1355  [ doi:10.1107/S0108270100010623 ]

Tris(2-methylphenyl)phosphonium tetrachloroborate

J. M. Burke, J. A. K. Howard, T. B. Marder and C. Wilson

Formula: C21H22P+·BCl4-

Online November 2000


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Acta Cryst. (2000). C56, 1356-1358  [ doi:10.1107/S0108270100011355 ]

4-Ethynyl-4-hydroxycyclohexan-1-one and 4-ethynyl-4-hydroxy-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one

C. Bilton, J. A. K. Howard, N. N. L. Madhavi, G. R. Desiraju and F. H. Allen

Formula: C8H10O2 and C12H14O2

Online November 2000


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Acta Cryst. (2000). C56, 1359-1360  [ doi:10.1107/S0108270100011343 ]

Racemic 1,2-diphenylbut-3-yn-2-ol

N. N. L. Madhavi, G. R. Desiraju, C. Bilton, J. A. K. Howard and F. H. Allen

Formula: C16H14O

Online November 2000


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Acta Cryst. (2000). C56, 1361-1363  [ doi:10.1107/S0108270100010775 ]

Disappearance of intramolecular stacking due to one-atom movement or increment of a `propylene linker' in pyrazolo[3,4-d]pyrimidine-based flexible models

P. R. Maulik, K. Avasthi, S. Sarkhel, T. Chandra, D. S. Rawat, B. Logsdon and R. A. Jacobson

Formula: C17H20N8S4 and C18H22N8O2S2

Online November 2000


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Acta Cryst. (2000). C56, 1364-1366  [ doi:10.1107/S0108270100010805 ]

4-Vinylbenzoic acid and 9-vinylanthracene

N. Yasuda, H. Uekusa and Y. Ohashi

Formula: C9H8O2 and C16H12

Online November 2000


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Acta Cryst. (2000). C56, 1367-1368  [ doi:10.1107/S010827010001091X ]

Benzo[i]naphtho[c,d]bicyclo[5.4.1]dodecan-12-one

S. Isobe, K. Kubo, T. Thiemann, T. Sawada, T. Yonemitsu and S. Mataka

Formula: C23H20O

Online November 2000


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Acta Cryst. (2000). C56, 1369-1371  [ doi:10.1107/S0108270100010921 ]

25,27-(6-Tosyl-3,9-dioxa-6-azaundecane-1,11-diyldioxy)-26,28-(3,6,9-trioxaundecane-1,11-diyldioxy)calix[4]arene

J. S. Kim, W. K. Lee, J. A. Rim, W. P. Jensen, J.-H. Lee, M.-J. Kim, J.-G. Kim and I.-H. Suh

Formula: C51H59NO11S

Online November 2000


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Acta Cryst. (2000). C56, 1372-1373  [ doi:10.1107/S0108270100010933 ]

Norfloxacin dihydrate

A. J. Florence, A. R. Kennedy, N. Shankland, E. Wright and A. Al-Rubayi

Formula: C16H18FN3O3·2H2O

Online November 2000


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Acta Cryst. (2000). C56, 1374-1376  [ doi:10.1107/S0108270100011173 ]

Marchantin M trimethyl ether

A. W. Mombrú, L. Suescun, E. Pandolfi, G. Seoane, G. López and R. Mariezcurrena

Formula: C31H30O5

Online November 2000


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Acta Cryst. (2000). C56, 1377-1379  [ doi:10.1107/S0108270100011185 ]

A norbornenyl derivative with through-space ketone [pi]-interaction

B. A. Lloyd, A. M. Arif and E. L. Allred

Formula: C19H17BrO3

Online November 2000


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Acta Cryst. (2000). C56, 1380-1382  [ doi:10.1107/S0108270100011197 ]

Unexpected dipivaloylation of 9-lithiated fluorene: formation of 1-(fluoren-9-ylidene)-2,2-dimethylpropyl pivalate

P. D. Robinson, H. G. Lutfi, Y. Hou and C. Y. Meyers

Formula: C23H26O2

Online November 2000


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Acta Cryst. (2000). C56, 1383-1385  [ doi:10.1107/S0108270100011161 ]

(1S,2R,2'S)- and (1S,2S,2'S)-1-phenyl-2-phenylthio-2-(tetrahydropyran-2'-ylthio)ethanol diastereoisomers at 193 K

J. Kansikas and K. Sipilä

Formula: Two diastereoisomers of C19H22O2S2

Online November 2000


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Acta Cryst. (2000). C56, 1386-1388  [ doi:10.1107/S0108270100011276 ]

N-Propionyl-1,2-benzisoselenazol-3(2H)-one

Y. S. Peng, H. S. Xu, P. Naumov, S. Shanmuga Sundara Raj, H.-K. Fun, I. A. Razak and S. W. Ng

Formula: C10H9NO2Se

Online November 2000


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Acta Cryst. (2000). C56, 1389-1390  [ doi:10.1107/S0108270100011288 ]

1,21-Henicosanediol

N. Nakamura, K. Uno and Y. Ogawa

Formula: C21H44O2

Online November 2000


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Acta Cryst. (2000). C56, 1391-1393  [ doi:10.1107/S010827010001129X ]

Racemic and chiral 1-[N-(chloroacetyl)carbamoylamino]-2,3-dihydro-1H-inden-2-yl chloroacetate

M. Eishima, S. Ohba, M. Suzuki, C. Nagasawa and T. Sugai

Formula: Racemic and chiral C14H14Cl2N2O4

Online November 2000


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Acta Cryst. (2000). C56, 1394-1395  [ doi:10.1107/S0108270100011562 ]

Phase change in tetraphenylphosphonium perchlorate

S. R. Batten, A. R. Harris and K. S. Murray

Formula: C24H20P+·ClO4-

Online November 2000


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Acta Cryst. (2000). C56, 1396-1398  [ doi:10.1107/S0108270100011574 ]

1D-3,4-Di-O-(diphenylmethylphosphonio)-1,2,5,6-tetra-O-methyl-chiro-inositol diiodide

G. J. Gainsford, C. Lensink, J. B. Hart and A. Falshaw

Formula: C36H44O6P22+·2I-

Online November 2000


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Acta Cryst. (2000). C56, 1399-1400  [ doi:10.1107/S0108270100011471 ]

7,8-Diphenyl-9-dimethylsulfido-10,11-[mu]-hydro-7,8-dicarba-nido-undecaborane(9)

D. Ellis, G. M. Rosair, S. Robertson and A. J. Welch

Formula: C16H25B9S

Online November 2000


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Acta Cryst. (2000). C56, 1401-1403  [ doi:10.1107/S0108270100011604 ]

2,3-Dihydro-3-methyl-2-nitrimino-1,3-thiazole

J. Kyziol, Z. Daszkiewicz and J. Zaleski

Formula: C4H5N3O2S

Online November 2000


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Acta Cryst. (2000). C56, 1404-1406  [ doi:10.1107/S010827010001177X ]

N-[Bis(2,4,6-trimethylphenoxy)phosphinoyl]-P,P,P-tris(2,4,6-trimethylphenoxy)phosphazene

T. Hökelek, N. Akduran, S. Begeç, A. Kiliç and Z. Kiliç

Formula: C45H55NO6P2

Online November 2000


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Acta Cryst. (2000). C56, 1407-1410  [ doi:10.1107/S010827010001163X ]

Intermolecular O-H...O hydrogen bonding in the three independent molecules of (2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acid

F. Brady and J. F. Gallagher

Formula: C17H15NO4

Online November 2000


electronic papers (metal-organic compounds)


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Acta Cryst. (2000). C56, e487-e488  [ doi:10.1107/S0108270100012518 ]

Bis[bis(diphenylphosphinomethyl)phenylphosphine]dichlorotetragold(I) bis[chlorotris(pentafluorophenyl)aurate(III)]

M. Bardají, A. Laguna and M. D. Villacampa

Synopsis: The cation of the title compound displays a rhomboidal geometry for the Au atoms, with short Au...Au distances of 3.104 (2) and 3.185 (1) Å. The anion shows the expected square-planar geometry at AuIII, with the Au atom 0.022 (5) Å out of the plane of the four donor atoms.

Formula: [Au4(C32H29P3)2Cl2][AuCl(C6F5)3]2

Online November 2000


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Acta Cryst. (2000). C56, e489-e490  [ doi:10.1107/S0108270100013044 ]

Tetraaqua(5-fluorouracil-1-acetato-O)copper(II) tetrahydrate

J. Huang, Y.-Z. Li, G.-C. Sun, R.-B. Dai, Q.-X. Li, L.-F. Wang and C.-G. Xia

Synopsis: In the title complex, the Cu atom, which is located on an inversion centre, is in the centre of a distorted octahedral geometry, with six O atoms provided by two monodentate carboxylate groups and four water molecules. Intra- and intermolecular hydrogen bonds make up a three-dimensional network.

Formula: [Cu(C6H4FN2O4)2(H2O)4]·4H2O

Online November 2000


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Acta Cryst. (2000). C56, e491-e492  [ doi:10.1107/S010827010001307X ]

Redetermination of fac-tris(benzohydroxamato)iron(III) trihydrate

C. J. Marmion, T. Murphy, Z. Starikova and K. B. Nolan

Synopsis: The previously reported title compound (R = 0.12, one of water molecules disordered) has been redetermined (R = 0.041, no disorder). The complex has pseudo-octahedral geometry around the FeIII atom. There is extensive hydrogen bonding involving the water molecules and the hydroxamate ligands.

Formula: [Fe(C7H6NO2)3]·3H2O

Online November 2000


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Acta Cryst. (2000). C56, e493-e494  [ doi:10.1107/S0108270100013408 ]

cis-[mu]-Chloro-[mu]-p-toluenethiolato-bis[chloro(triethylphosphine)palladium]

E. C. Alyea, S. Kannan and G. Ferguson

Synopsis: The title compound, prepared in the course of synthetic studies of organochalcogenide compounds of PdII, has bridging chloro and arylthiolato groups, with the phosphines being trans to the bridging chloro group. The four-membered metallocyclic Pd2ClS ring is unexpectedly non-planar, with a dihedral angle of 133.8 (1)° between the PdCl2SP coordination planes.

Formula: [Pd2Cl3(C7H7S)(C6H15P)2]

Online November 2000


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Acta Cryst. (2000). C56, e495-e496  [ doi:10.1107/S010827010001341X ]

Dithiocyanatobis[4,4,5,5-tetramethyl-2-(4-pyridyl-[kappa]N)-1H-imidazoline-1-oxyl]zinc(II)

M. Fettouhi

Synopsis: The preparation and crystal structure of the title complex are described. The ZnII ion adopts a distorted tetrahedral coordination. It is bonded to two thiocyanate and two pyridyl N atoms.

Formula: [Zn(NCS)2(C12H16N3O)2]

Online November 2000


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Acta Cryst. (2000). C56, e497-e498  [ doi:10.1107/S0108270100013482 ]

trans-Tetrachlorobis(4-methylpyridine)germanium(IV)

M. Bolte, K. Hensen and A. Faber

Synopsis: The structure of the title compound is the first example of an addition compound of GeCl4 with two aromatic nitrogen bases. The environment around the Ge atom can be described as a slightly distorted octahedron with the 4-methylpyridine ligands occupying axial positions and the four chloro ligands in the equatorial plane. The structure of the title compound is isomorphous with the corresponding silicon halides.

Formula: [GeCl4(C6H7N)2]

Online November 2000


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Acta Cryst. (2000). C56, e499-e500  [ doi:10.1107/S0108270100014153 ]

Complexes of germanium bromides with 4-picoline and 3,4-lutidine

M. Bolte, K. Hensen and A. Faber

Synopsis: The reactions of GeBr4 with 4-methylpyridine and 3,4-dimethylpyridine lead to tetrabromobis(4-methylpyridine)germanium, (I), and tetrabromobis(3,4-dimethylpyridine)germanium, (II), respectively. These structures show the same features as the corresponding silicon complexes.

Formula: [GeBr4(C6H7N)2] and [GeBr4(C7H9N)2]

Online November 2000


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Acta Cryst. (2000). C56, e501-e502  [ doi:10.1107/S0108270100013500 ]

trans-Bis[2,3-diamino-(R,S)-propionato-N,N']diaquacopper(II) dihydrate

J. Chapman, N. L. Pickett, G. Kolawole, M. Motevalli and P. O'Brien

Synopsis: The title copper complex has a center of symmetry and a distorted octahedral coordination, with four N atoms in equatorial positions and water molecules in the apical sites. The water molecule of crystallization is hydrogen bonded to the deprotonated carboxylate group of the ligand.

Formula: [Cu(C3H7N2O2)2(H2O)2]·2H2O

Online November 2000


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Acta Cryst. (2000). C56, e503-e504  [ doi:10.1107/S0108270100013548 ]

A three-dimensional open-framework zinc arsenate, (C4H12N2)2[Zn7(AsO4)6(H2O)2]

K. O. Kongshaug, H. Fjellvåg and K. P. Lillerud

Synopsis: The title compound is a new open-framework zinc arsenate, which is isostructural with the zinc phosphate UiO-17. The open three-dimensional anionic framework, made up of vertex-sharing AsO4 tetrahedra, ZnO4 tetrahedra and ZnO5 trigonal bipyramids, contains a two-dimensional eight-ring channel system in which diprotonated piperazinium cations reside.

Formula: (C4H12N2)2[Zn7(AsO4)6(H2O)2]

Online November 2000


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Acta Cryst. (2000). C56, e505-e506  [ doi:10.1107/S0108270100013937 ]

Aquabis(crotonato)bis(pyridine)copper(II)

R. Baggio, B. Foxman, M. T. Garland, M. Perec and W. Shang

Synopsis: The title compound crystallizes as a monomer, with the copper ion in a pentacoordinated square-pyramidal environment, bisected by a twofold axis passing through the metal atom and the apex. The molecules organise in chains connected by hydrogen bonds running along the unique b axis.

Formula: [Cu(C4H5O2)2(C5H5N)2(H2O)]

Online November 2000


electronic papers (organic compounds)


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Acta Cryst. (2000). C56, e507-e508  [ doi:10.1107/S0108270100013007 ]

Fumaric acid-trans-cinnamamide (1/2)

H. Hosomi, S. Ohba and Y. Ito

Synopsis: In the title adduct, fumaric acid has a centre of symmetry and is connected to two trans-cinnamamide molecules through cyclic hydrogen bonds. A single-crystal photoirradiation promoted the conformational disorder of the fumaric acid.

Formula: C4H4O4·2C9H9NO

Online November 2000


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Acta Cryst. (2000). C56, e509-e510  [ doi:10.1107/S010827010001338X ]

4,5-Dichlorophthalic acid-trans-cinnamamide (1/2) and 3,4,5,6-tetrachlorophthalic acid-trans-cinnamamide (1/2)

H. Hosomi, S. Ohba and Y. Ito

Synopsis: In the two title adducts, (I) and (II), respectively, the dicarboxylic acid is connected to two cinnamamide molecules through cyclic hydrogen bonds. The arrangement of the C=C bonds of neighbouring cinnamamide molecules is twisted.

Formula: C8H4Cl2O4·2C9H9NO and C8H2Cl4O4·2C9H9NO

Online November 2000


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Acta Cryst. (2000). C56, e511  [ doi:10.1107/S0108270100013391 ]

Benzene-1,2,4,5-tetracarboxylic acid-trans-cinnamamide (1/2)

H. Hosomi, S. Ohba and Y. Ito

Synopsis: In the title adduct, a hydrogen-bonded unit of the acid and two cinnamamide molecules has a crystallographic twofold axis parallel to b, and the acid molecules are linked by cyclic hydrogen bonds to form a flat zigzag along c.

Formula: C10H6O8·2C9H9NO

Online November 2000


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Acta Cryst. (2000). C56, e512-e513  [ doi:10.1107/S0108270100013019 ]

3[alpha]-Tosyloxymethyltropane(N8-B)borane

A. S. Batsanov, J. A. K. Howard, D. O'Hagan and M. Tavasli

Synopsis: In the title compound, the tosyloxymethyl substituent is in an endo position; the BH3 group is equatorial and the (N-bonded) methyl group is axial, relative to the six-membered heterocycle. The N-B bond of 1.649 (8) Å is one of the longest known.

Formula: C16H26BNO3S

Online November 2000


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Acta Cryst. (2000). C56, e514-e515  [ doi:10.1107/S0108270100013020 ]

A terphenyl halide series: 2,6-Trip2H3C6X (Trip = 2,4,6-triisopropylphenyl; X = Cl, Br, I)

B. Twamley, N. J. Hardman and P. P. Power

Synopsis: The three title sterically encumbered terphenyl halides are isomorphous and isostructural with a plane of symmetry through the centre of the molecule. The C-X bond distances are 1.745 (3) [X = Cl, (I)], 1.910 (4) [X = Br, (II)] and 2.102 (6) Å [X = I, (III)].

Formula: C36H49I, C36H49Br and C36H49Cl

Online November 2000


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Acta Cryst. (2000). C56, e516-e517  [ doi:10.1107/S0108270100013032 ]

Redetermination of ternifoline-C at 150 K

P. J. Cox, Y.-H. Meng, S. D. Sarker, Q.-Y. Deng and G. Xu

Synopsis: The relative molecular stereochemistry and crystal packing of the diterpenoid ternifoline-C at 150 K are similar to the results of a previous study probably using room-temperature data.

Formula: C22H32O6

Online November 2000


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Acta Cryst. (2000). C56, e518-e519  [ doi:10.1107/S0108270100013056 ]

5-Fluoro-1-octanoyluracil

H.-J. Lehmler and S. Parkin

Synopsis: The 5-fluoropyrimidine-2,4(1H,3H)-dione moiety of the title compound is similar to the known structure of 1-acetyl-5-fluorouracil. The 1-octanoyl group and the 5-fluorouracil moiety are essentially coplanar with the acyl carbonyl group, which is oriented towards the ring C-H group and away from the nearer ring carbonyl group.

Formula: C12H17FN2O3

Online November 2000


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Acta Cryst. (2000). C56, e520-e521  [ doi:10.1107/S0108270100013068 ]

N-(4-Methylphenyl)-N-(5-nitrofurfuryl)-N-prop-2-ynylamine

A. Hergold-Brundic, G. Pavlovic, A. D. Mance and K. Jakopcic

Synopsis: In the title compound, the furan ring is inclined at an angle of 84.35 (4)° to the phenyl ring. The crystal structure is dominated by van der Waals forces.

Formula: C15H14N2O3

Online November 2000


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Acta Cryst. (2000). C56, e522-e523  [ doi:10.1107/S0108270100013081 ]

meso-2,2'-Diphenyl-3,3',4,4'-tetrahydro-2,2'-bifuran-5,5'(2H,2'H)-dione

D. G. Billing, C. W. Holzapfel, K. Blann and D. B. G. Williams

Synopsis: The crystal structure of the title compound contains a crystallographic inversion center. The C-C bond linking the two halves of the molecule is slightly elongated at 1.577 (3) Å.

Formula: C20H18O4

Online November 2000


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Acta Cryst. (2000). C56, e524-e525  [ doi:10.1107/S0108270100013470 ]

Tetrakis(3,5-dimethylpyridine)dihydridosilicon dibromide bis(acetonitrile) solvate and 3,5-dimethylpyridinium bromide

M. Bolte, K. Hensen and A. Faber

Synopsis: In the course of an attempt to synthesize tetrakis(3,5-dimethylpyridine)dihydridosilicon dibromide, crystals of its acetonitrile disolvate, (I), and of 3,5-dimethylpyridinium bromide, (II), were obtained in the same reaction flask. They have both been structurally characterized.

Formula: C28H38N4Si2+·2Br-·2C2H3N and C7H10N+·Br-

Online November 2000


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Acta Cryst. (2000). C56, e526-e527  [ doi:10.1107/S0108270100013512 ]

Methyl 2-methyl-6-methylthio-1,3-dioxo-4-[(2,3,4,6-tetra-O-acetyl-[beta]-D-glucopyranosyl)amino]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-7-carboxylate

J. N. Low, C. Garcia, M. Melguizo, J. Cobo, A. Sánchez, M. Nogueras and M. D. López

Synopsis: The title compound has peripheral acetyl and carbomethoxy groups which show disorder. The absolute structure, known from the starting materials, was confirmed by the analysis.

Formula: C25H29N3O13S

Online November 2000


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Acta Cryst. (2000). C56, e528  [ doi:10.1107/S0108270100013524 ]

2,4,6-Trimethylphenol

B. Ziemer and O. Surygina

Synopsis: A one-dimensional connectivity of strong hydrogen bonds in this simple structure results in a b axis which is very short compared with a and c. This provides a perfect example for the concept of periodic bond-chain vectors.

Formula: C9H12O

Online November 2000


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Acta Cryst. (2000). C56, e529-e530  [ doi:10.1107/S0108270100013536 ]

1,3,5-Tri-p-tolylbiuret

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

Synopsis: In the title compound, the biuret moiety is nearly planar and an intramolecular hydrogen bond completes a six-membered ring. Each phenyl ring of the p-tolyl groups is twisted by approximately 60-80° with respect to the others.

Formula: C23H23N3O2

Online November 2000


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Acta Cryst. (2000). C56, e531  [ doi:10.1107/S0108270100013986 ]

Hydrogen bonding in N,N,N',N'-tetramethylethylenediammonium bis(benzeneselenolate)

A. A. Feldmann, K. Schmengler, K. Laue, S. Marose, K. Kirschbaum, O. Conrad and D. M. Giolando

Synopsis: The title crystal structure reveals hydrogen bonding between the benzeneselenolate anions and the tetramethylethylenediammonium cations.

Formula: C6H18N22+·2C6H5Se-

Online November 2000


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Acta Cryst. (2000). C56, e532  [ doi:10.1107/S0108270100013998 ]

Redetermination of 1,3,5-trichloro-2,4-dinitrobenzene

P. E. Kruger, P. R. Mackie and M. Nieuwenhuyzen

Synopsis: The crystal structure at 153 K of the title compound, an intermediate in the synthesis of 1,3,5-trichloro-2,4,6-trinitrobenzene, shows no major deviations from the previously reported structure at 295 K other than the expected contraction of the cell volume.

Formula: C6HCl3N2O4

Online November 2000


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Acta Cryst. (2000). C56, e533  [ doi:10.1107/S0108270100014165 ]

2,4,6-Tris[2-(trimethylsilyl)ethynyl]-1,3,5-triazene: a novel precursor to C-N two-dimensional structures

J. Kouvetakis and T. L. Groy

Synopsis: The title structure consists of separate molecules arranged in sheets parallel to the ab plane. In each molecule, the central (CN)3 ring, the ethynyl units, and the Si atoms lie in the same plane. Typical C-C and C-N bond distances are 1.197 (5) and 1.42 (4) Å, respectively. The angles inside the (CN)3 ring range from 114 (3) to 125 (3)° and the acetylenic branches are nearly linear.

Formula: C18H27N3Si3

Online November 2000


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Acta Cryst. (2000). C56, e534  [ doi:10.1107/S0108270100014177 ]

2-Amino-6-chloro-4-(1-phenylethylamino)pyrimidine

D. E. Lynch and I. McClenaghan

Synopsis: The structure of the title compound comprises a racemic mixture of chiral molecules associated by N-H...N hydrogen-bonding interactions. The dihedral angle between the two rings is 77.90 (6)°.

Formula: C12H13ClN4

Online November 2000


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Acta Cryst. (2000). C56, e535  [ doi:10.1107/S0108270100014189 ]

4-Anilino-3-nitropyridine

D. E. Lynch and I. McClenaghan

Synopsis: The structure of the title compound comprises two unique molecules that separately form hydrogen-bonded polymer chains via N-H...N interactions. Molecular independence arises due to a difference in the dihedral angles between the linked rings, i.e. 52.19 (4) and 46.17 (5)°.

Formula: C11H9N3O2

Online November 2000


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Acta Cryst. (2000). C56, e536  [ doi:10.1107/S0108270100014190 ]

4,6-Dichloro-2-(methylthio)pyrimidine

D. E. Lynch and I. McClenaghan

Synopsis: The structure of the title compound comprises six symmetry unique molecules that vary only slightly in their N-C-S-C torsion angle. All the molecules are planar to within less than 3.1°.

Formula: C5H4Cl2N2S

Online November 2000


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Acta Cryst. (2000). C56, e537  [ doi:10.1107/S0108270100014207 ]

2-Chloro-3-morpholino-1,4-naphthoquinone

D. E. Lynch and I. McClenaghan

Synopsis: The structure of the title compound comprises essentially planar molecules stacked parallel to the a axis. C-H...O hydrogen-bonding interactions exist to both naphthoquinone O atoms and the Cl atom, but not to the morpholine O atom.

Formula: C14H12ClNO3

Online November 2000


addenda and errata


 

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Acta Cryst. (2000). C56, e538  [ doi:10.1107/S0108270100012993 ]

24(R)-Acetyloxy-1[alpha],2[alpha]-epoxycholesta-4,6-dien-3-one hydrate. Erratum

K. Rajalakshmi, V. Pattabhi, C. S. Venkatesan, G. Nadamuni and A. Srikrishna

Synopsis: Erratum to Acta Cryst. (2000), C56, e307-308.

Formula: C29H42O4·H2O

Online November 2000


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