Acta Crystallographica Section C

Crystal Structure Communications

Volume 56, Part 12 (December 2000)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: The crystal packing of trans-4-[4-(dimethylamino)phenyliminomethyl]-N-phenylpyridinium hexafluorophosphate viewed along the b axis. See Coe, Harris, Gelbrich & Hursthouse [Acta Cryst. (2000), C56, 1487-1489].

inorganic compounds


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Acta Cryst. (2000). C56, 1411-1412  [ doi:10.1107/S0108270100012063 ]

(NH4)3[VO2(SO4)2(H2O)2]·1.5H2O

M. Hashimoto, M. Kubata and A. Yagasaki

Synopsis: In the title compound, the V atom is sandwiched between two sulfate groups by corner-sharing to form a discrete [VO2(SO4)2(OH2)2]3- anion. The water molecules occupy cis positions in the equatorial plane of the vanadium octahedron.

Formula: (NH4)3[VO2(SO4)2(H2O)2]·1.5H2O

Online December 2000


 

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Acta Cryst. (2000). C56, 1413-1415  [ doi:10.1107/S0108270100013445 ]

Lithium potassium borate and lithium rubidium borate: new non-linear optical crystals

Y. Ono, M. Nakaya, T. Kajitani, T. Sugawara, N. Watanabe, H. Shiraishi and R. Komatsu

Synopsis: The new non-linear optical crystals LiKB4O7 and LiRbB4O7 contain two kinds of anionic groups, namely (B3O8)7- and (B5O10)5-. The (B3O8)7- chains parallel to the [100] direction are interconnected by sharing O atoms with (B5O10)5- groups.

Formula: LiKB4O7 and LiRbB4O7

Online December 2000


metal-organic compounds


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Acta Cryst. (2000). C56, 1416-1417  [ doi:10.1107/S0108270100012786 ]

Bis([mu]-pyridine-2,6-carboxylato-O,N,O':O)bis[triaquamanganese(II)]-pyridine-2,6-dicarboxylic acid (1/2)

N. Okabe and N. Oya

Formula: [Mn2(C7H3NO4)2(H2O)6]·2C7H5NO4

Online December 2000


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Acta Cryst. (2000). C56, 1418-1419  [ doi:10.1107/S0108270100011999 ]

catena-Poly[[diaqualithium(I)]-[mu]-[9H-purine-2,6(1H,3H)-dionato-O2:N7]]

N. Okabe and M. Tsujita

Formula: [Li(C5H3N4O2)(H2O)2]

Online December 2000


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Acta Cryst. (2000). C56, 1420-1422  [ doi:10.1107/S010827010001204X ]

A cyanide-bridged bimetallic complex, [CrPr(CN)6(C3H7NO)4(H2O)3]·H2O

R. A. Combs, J. M. Farmer and J. A. Kautz

Formula: [CrPr(CN)6(C3H7NO)4(H2O)3]·H2O

Online December 2000


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Acta Cryst. (2000). C56, 1423-1424  [ doi:10.1107/S0108270100012282 ]

[1,1,2,2-(CO)4-1,2-[mu]-(CO)-4,11-(SMe2)2-closo-1,2-Co2B10H8]

M. G. S. Londesborough, J. Bould, J. Holub, J. D. Kennedy, M. Thornton-Pett and B. Stíbr

Formula: [Co2(C4H20B10S2)(CO)5]

Online December 2000


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Acta Cryst. (2000). C56, 1425-1426  [ doi:10.1107/S0108270100012981 ]

Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-[kappa]N2]pyridine-[kappa]N}zinc(II) diperchlorate bis(nitromethane) solvate

M. A. Halcrow, C. A. Kilner and M. Thornton-Pett

Formula: [Zn(C29H29N5)2](ClO4)2·2CH3NO2

Online December 2000


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Acta Cryst. (2000). C56, 1427-1428  [ doi:10.1107/S0108270100012312 ]

Tetraaquabis(3,5-dicarboxybenzoato-O)cobalt(II)

N. Guillou, C. Livage, J. Marrot and G. Férey

Formula: [Co(C9H5O6)2(H2O)4]

Online December 2000


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Acta Cryst. (2000). C56, 1429-1430  [ doi:10.1107/S0108270100012373 ]

A donor-acceptor compound composed of a dinuclear zinc(II) complex of a Robson macrocycle with 8-methylquinoline

J.-L. Fang, W. Huang, S. Chantrapromma, S. Shanmuga Sundara Raj, I. A. Razak, H.-K. Fun, S.-H. Gou and H.-S. Wang

Formula: [Zn2(C24H26N4O2)(H2O)2](ClO4)2·2C10H9N·2C2H6O

Online December 2000


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Acta Cryst. (2000). C56, 1431-1432  [ doi:10.1107/S0108270100012841 ]

Hexakis(1H-imidazole-[kappa]N3)nickel(II) bis[O,O'-diisopropyl dithiophosphate(1-)]

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

Formula: [Ni(C3H4N2)6](C6H14O2PS2)2

Online December 2000


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Acta Cryst. (2000). C56, 1433-1434  [ doi:10.1107/S010827010001310X ]

Solvent-free [[mu]-ferrocene-1,1'-diylbis(diphenylphosphine-P)]bis[chlorogold(I)]

O. Crespo, M. C. Gimeno, P. G. Jones and A. Laguna

Formula: [Au2Cl2{Fe(C17H14P)2}]

Online December 2000


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Acta Cryst. (2000). C56, 1435-1437  [ doi:10.1107/S0108270100013111 ]

cis-Tetracarbonylbis(tricyclohexylphosphine)molybdenum(0) and pentacarbonyl(tricyclohexylphosphine)molybdenum(0)

J. E. Cortes-Figueroa, M. S. Leon-Velazquez, J. Ramos, J. P. Jasinski, D. A. Keene, J. D. Zubkowski and E. J. Valente

Formula: [Mo(C18H33P)2(CO)4] and [Mo(C18H33P)(CO)5]

Online December 2000


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Acta Cryst. (2000). C56, 1438-1439  [ doi:10.1107/S0108270100012816 ]

Di-[mu]-hydroxo-bis(diisopropylgallium)-1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane (1/1)

N. M. Boag, K. M. Coward, A. C. Jones, M. E. Pemble and J. R. Thompson

Formula: [Ga2(C3H7)4(OH)2]·C14H32N4

Online December 2000


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Acta Cryst. (2000). C56, 1440-1441  [ doi:10.1107/S0108270100011768 ]

Cyclometallated compounds. XV. A tetranuclear acetate-bridged cyclopalladated molecular box

B. J. O'Keefe and P. J. Steel

Formula: [Pd4(C16H10N2O2)2(C2H3O2)4]·2CHCl3·2H2O

Online December 2000


organic compounds


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Acta Cryst. (2000). C56, 1442-1443  [ doi:10.1107/S0108270100011379 ]

N-(3-Chlorophenyl)-[alpha]-phenylnitrone: association with benzoic acid through hydrogen bonding

S. Chandrasekar and K. Panchanatheswaran

Formula: C13H10ClNO·C7H6O2

Online December 2000


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Acta Cryst. (2000). C56, 1444-1446  [ doi:10.1107/S0108270100011537 ]

1,2-Diphenyl-2-(phenyldiazenyl)-2-tosylethanone, an example of a fungicide containing a sulfonyl group

W. M. Wolf

Formula: C27H22N2O3S

Online December 2000


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Acta Cryst. (2000). C56, 1447-1449  [ doi:10.1107/S0108270100011616 ]

Racemic dipeptide glycyl-DL-leucine at 120 K

P. Bombicz, B. Dittrich, M. Strumpel, H.-P. Nabein and P. Luger

Formula: C8H16N2O3

Online December 2000


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Acta Cryst. (2000). C56, 1450-1451  [ doi:10.1107/S010827010001180X ]

13,13a-Dihydro-13-methoxy-9-methyl-1-benzopyrano[4,3-i]dinaphtho[2,1-c;1',2'-f]-2,8-dioxabicyclo[3.3.1]nonane

S. Sahana, C. Bandyopadhyay and S. Chaudhuri

Formula: C32H24O4

Online December 2000


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Acta Cryst. (2000). C56, 1452-1454  [ doi:10.1107/S0108270100012294 ]

A silaproline-containing dipeptide

B. Vivet, F. Cavelier, J. Martinez, C. Didierjean, M. Marraud and A. Aubry

Formula: C17H33N3O3Si

Online December 2000


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Acta Cryst. (2000). C56, 1455-1456  [ doi:10.1107/S0108270100012324 ]

2-Hydroxyphenyl 2-methylpyrazolo[1,5-a]pyrimidin-6-yl ketone

J. Quiroga, B. Insuasty, R. Abonia, D. Mejía, M. Nogueras, A. Sánchez, J. Cobo and J. N. Low

Formula: C14H11N3O2

Online December 2000


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Acta Cryst. (2000). C56, 1457-1459  [ doi:10.1107/S0108270100012300 ]

5,5-Dimethyl-3-(5-methyl-1H-pyrazol-3-ylamino)cyclohex-3-en-1-one

J. Quiroga, B. Insuasty, R. Abonia, D. Mejía, J. Cobo, M. Nogueras, A. Sanchez and J. N. Low

Formula: C12H17N3O

Online December 2000


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Acta Cryst. (2000). C56, 1460-1461  [ doi:10.1107/S0108270100012397 ]

Weak and strong hydrogen-bonding patterns in the structure of 2,4-bis(2-hydroxybenzoyl)-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole

J. Quiroga, B. Insuasty, R. Abonia, P. Hernández, J. Cobo, M. Nogueras, A. Sánchez and J. N. Low

Formula: C25H19NO4S

Online December 2000


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Acta Cryst. (2000). C56, 1462-1464  [ doi:10.1107/S0108270100012415 ]

Hydrogen-bonded dimers in N-(2-nitrophenylthio)saccharin

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

Formula: C13H8N2O5S2

Online December 2000


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Acta Cryst. (2000). C56, 1465-1467  [ doi:10.1107/S0108270100012427 ]

Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: 2-nitrophenyl-[beta]-D-thiogalactopyranoside

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

Formula: C12H15NO7S

Online December 2000


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Acta Cryst. (2000). C56, 1468-1470  [ doi:10.1107/S010827010001235X ]

The surprising sp rotameric structure of 9-methyl-9-pivaloylfluorene

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

Formula: C19H20O

Online December 2000


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Acta Cryst. (2000). C56, 1471-1472  [ doi:10.1107/S0108270100013123 ]

cis,cis,cis-Tetramethyl 1,2,4,5-cyclohexanetetracarboxylate

P. D. Robinson, D. H. Hua, J. Fan, L. Liu, J. W. McGill, M. Arshid and C. Y. Meyers

Formula: C14H20O8

Online December 2000


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Acta Cryst. (2000). C56, 1473-1475  [ doi:10.1107/S0108270100012452 ]

2,2'-Bipyridinium bis(perchlorate)

G. Ma, A. Ilyukhin and J. Glaser

Formula: C10H10N22+·2ClO4-

Online December 2000


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Acta Cryst. (2000). C56, 1476-1477  [ doi:10.1107/S0108270100012403 ]

[alpha]-Onocerin chloroform hemisolvate

R. Fröhlich and G. F. Pauli

Formula: C30H50O2·0.5CHCl3

Online December 2000


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Acta Cryst. (2000). C56, 1478-1479  [ doi:10.1107/S0108270100012385 ]

2-Amino-5-chloro-1,3-benzoxazol-3-ium 2-(3,4-dichlorophenoxy)acetate

D. E. Lynch, D. Daly and S. Parsons

Formula: C7H6ClN2O+·C8H5Cl2O3-

Online December 2000


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Acta Cryst. (2000). C56, 1480-1481  [ doi:10.1107/S0108270100012361 ]

(1R,2s,3S,6R,9S)-5,5,10,10-Tetrachloro-2-methyltricyclo[7.2.0.03,6]undec-7-ene-4,11-dione

Y. Coquerel, A. Blanc, J.-P. Deprés, A. E. Greene, M.-T. Averbuch-Pouchot, C. Philouze and A. Durif

Formula: C12H10Cl4O2

Online December 2000


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Acta Cryst. (2000). C56, 1482-1483  [ doi:10.1107/S0108270100012439 ]

Ethyl 2-[N-(tert-butyloxycarbonyl)-L-alanylamino]-4-methyl-1,3-thiazole-5-carboxylate reveals a trans orientation of the preceding amide N-H with respect to the thiazole-ring sulfur

U. P. Singh, M. Thomas, T. P. Seshadri and S. Bhattacharya

Formula: C15H23N3O5S

Online December 2000


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Acta Cryst. (2000). C56, 1484-1486  [ doi:10.1107/S0108270100012464 ]

Two N-ortho-nitrobenzenesulfonyl [alpha],[alpha]-disubstituted amino acid adducts

L. G. J. Hammarström, T. Zhang, J. Giraldés, M. L. McLaughlin, D. R. Billodeaux and F. R. Fronczek

Formula: C10H12N2O6S and C13H16N2O6S

Online December 2000


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Acta Cryst. (2000). C56, 1487-1489  [ doi:10.1107/S0108270100012543 ]

trans-4-[4-(Dimethylamino)phenyliminomethyl]-N-phenylpyridinium hexafluorophosphate

B. J. Coe, J. A. Harris, T. Gelbrich and M. B. Hursthouse

Formula: C20H20N3+·PF6-

Online December 2000


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Acta Cryst. (2000). C56, 1490-1491  [ doi:10.1107/S0108270100012725 ]

4-Methyl-N-[2-(p-tolylsulfanyl)phenyl]benzenesulfonamide

S. Banerjee, A. K. Mukherjee, B. Nandi, N. G. Kundu and M. Helliwell

Formula: C20H19NO2S2

Online December 2000


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Acta Cryst. (2000). C56, 1492-1493  [ doi:10.1107/S0108270100012798 ]

5-Methyl-2'-deoxy-4'-thio-[alpha]-uridine (R)-S-oxide

M. Sun, A. C. Macculloch, T. A. Hamor and R. T. Walker

Formula: C10H14N2O5S

Online December 2000


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Acta Cryst. (2000). C56, 1494-1495  [ doi:10.1107/S0108270100012750 ]

A spiro-linked pyrene-naphthoquinone

J. A. Potenza, T. J. Emge, J. Albaneze, S. Knapp and H. J. Schugar

Formula: C32H22O4

Online December 2000


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Acta Cryst. (2000). C56, 1496-1498  [ doi:10.1107/S0108270100012762 ]

An NH3+...phenyl interaction in L-phenylalanyl-L-valine

C. H. Görbitz

Formula: C14H20N2O3

Online December 2000


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Acta Cryst. (2000). C56, 1499-1500  [ doi:10.1107/S010827010001283X ]

2,3-Bis(4-nitrobenzylthio)maleonitrile

X.-M. Ren, Y. Xu, C.-J. Hu, Q.-J. Meng, C.-S. Lu and H.-T. Wang

Formula: C18H12N4O4S2

Online December 2000


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Acta Cryst. (2000). C56, 1501-1502  [ doi:10.1107/S0108270100012853 ]

2,4-Dibromo-3-methoxy-6-nitrobenzaldeyde: effect of substituents on ring geometry

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

Formula: C8H5Br2NO4

Online December 2000


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Acta Cryst. (2000). C56, 1503-1504  [ doi:10.1107/S0108270100012956 ]

7-Nitro-1H-indazole, an inhibitor of nitric oxide synthase

J. Sopková-de Oliveira Santos, V. Collot and S. Rault

Formula: C7H5N3O2

Online December 2000


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Acta Cryst. (2000). C56, 1505-1506  [ doi:10.1107/S0108270100012968 ]

The 1:1 adduct of Kemp's triacid with 2-aminopyridine

G. Smith, R. C. Bott and U. D. Wermuth

Formula: C5H7N2+·C12H17O6-

Online December 2000


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Acta Cryst. (2000). C56, 1507-1509  [ doi:10.1107/S0108270100013135 ]

(+)-Gibberellin C: hydrogen-bonding pattern of the monohydrate of a non-racemic pentacyclic diterpenoid

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

Formula: C19H24O6·H2O

Online December 2000


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Acta Cryst. (2000). C56, 1510-1511  [ doi:10.1107/S0108270100013147 ]

2,2,4,4-Tetramethyl-1,5-diphenyl-6,7,8-trioxa-3-thiabicyclo[3.2.1]octane

E. Cuthbertson, C. S. Frampton and D. D. MacNicol

Formula: C20H22O3S

Online December 2000


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Acta Cryst. (2000). C56, 1512-1514  [ doi:10.1107/S0108270100013421 ]

Pyrazine-2,3-dicarboxamide

P. Vishweshwar, A. Nangia and V. M. Lynch

Formula: C6H6N4O2

Online December 2000


electronic papers (inorganic compounds)


 

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Acta Cryst. (2000). C56, e539-e540  [ doi:10.1107/S0108270100014839 ]

Low-temperature Na4Ti5O12 from X-ray and neutron powder diffraction data

M. Avdeev and A. Kholkin

Synopsis: The crystal structure of low-temperature Na4Ti5O12 has been determined and refined from X-ray and neutron powder diffraction data at 295 K. The O and Na atoms form a distorted close-packed structure, where Ti atoms occupy octahedral sites.

Formula: Na4Ti5O12

Online December 2000


electronic papers (metal-organic compounds)


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Acta Cryst. (2000). C56, e541  [ doi:10.1107/S0108270100014773 ]

The pentacoordinate titanium complex [TiCl2(NMe2)2(HNMe2)]

K. Kirschbaum, O. Conrad and D. M. Giolando

Synopsis: Amido complexes of titanium are useful reagents in a variety of syntheses and as precursors for chemical vapor deposition of TiN. The title compound crystallizes with one molecule in the asymmetric unit. The neutral complex shows an unusual fivefold coordination of the titanium centre.

Formula: [TiCl2(C2H6N)2(C2H7N)]

Online December 2000


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Acta Cryst. (2000). C56, e542  [ doi:10.1107/S0108270100014979 ]

The titanium-thiolate complex [Li(C4H8O)4][Ti2(SC6H5)9]

C. Puke, K. Schmengler, K. Kirschbaum, O. Conrad and D. M. Giolando

Synopsis: The central structural motif of the [Ti2(SC6H5)9]- anion features a face-sharing bi-octahedron. The charge is balanced by a [Li(C4H8O)4]+ cation.

Formula: [Li(C4H8O)4][Ti2(C6H5S)9]

Online December 2000


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Acta Cryst. (2000). C56, e543-e544  [ doi:10.1107/S0108270100014815 ]

Di-[mu]-methoxo-bis({N,N'-bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine-[kappa]3N}copper(II)) bis(hexafluorophosphate)

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

Synopsis: The title compound has a doubly methoxo-bridged centrosymmetric copper dimer cation involving two tridentate bis(pyrazolyl)amine ligands. The geometry of each CuII atom is a distorted square pyramid. The Cu...Cu distance is 3.058 (1) Å.

Formula: [Cu2(C14H23N5)2(CH3O)2](PF6)2

Online December 2000


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Acta Cryst. (2000). C56, e545-e546  [ doi:10.1107/S0108270100014827 ]

Bis(1,3-diphenylpropane-1,3-dionato-O,O')(diphenyl sulfoxide-O)dioxouranium(VI)

S. Kannan, S. Shanmuga Sundara Raj and H.-K. Fun

Synopsis: In the title complex, the U atom is surrounded by seven O atoms giving a distorted pentagonal bipyramidal geometry. The U-Ouranyl and U-Odbm distances (dbm is 1,3-diphenylpropane-1,3-dionate) are in the ranges 1.760 (6)-1.776 (5) and 2.308 (4)-2.417 (4) Å, respectively, while the U-Osulfoxide distance is 2.427 (4) Å.

Formula: [UO2(C15H11O2)(C12H10OS)]

Online December 2000


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Acta Cryst. (2000). C56, e547-e548  [ doi:10.1107/S0108270100015079 ]

Tetrakis(triphenylphosphine)silver(I) tetraphenylborate acetonitrile solvate

D. D. Ellis and A. L. Spek

Synopsis: In the title compound, both central Ag and B atoms lie on twofold axes and exhibit tetrahedral geometries. There seems to be no trigonal-tetrahedral disorder, as is prevalent in the analogous Au complex.

Formula: [Ag(C18H15P)4](C24H20B)·C2H3N

Online December 2000


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Acta Cryst. (2000). C56, e549  [ doi:10.1107/S0108270100014967 ]

Bis(di-[mu]-acetato-aqua{2-[N-ethyl-N-(2-hydroxy-4-methylbenzyl)aminomethyl]-1-methylbenzimidazole}nickel)nickel(II) tetrahydrate

C. J. Martin, D. C. R. Hockless, M. R. Taylor and L. L. Martin

Synopsis: The previously unknown title compound is a centrosymmetric linear trinuclear nickel(II) complex, where the Ni atoms are in an octahedral coordination and the ligand heteroatoms act so as to model amino acid residues.

Formula: [Ni3(C18H22N3O)2(C2H3O2)4(H2O)2]·4H2O

Online December 2000


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Acta Cryst. (2000). C56, e550-e551  [ doi:10.1107/S0108270100014980 ]

Bromodimethyl(N-methylpyrrolidin-2-one-O)tin(IV)-di-[mu]-bromo-bromodimethyltin(IV)

U.-C. König, M. Berkei, C. Hirsch, H. Preut and T. N. Mitchell

Synopsis: The title compound contains two Sn atoms in the asymmetric unit, that complexed by NMP exhibiting an octahedral and the other showing a trigonal-bipyramidal geometry. The most important features are three different Sn-Br bond lengths at both Sn atoms.

Formula: [Sn2Br4(CH3)4(C5H9NO)]

Online December 2000


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Acta Cryst. (2000). C56, e552-e553  [ doi:10.1107/S0108270100014992 ]

Poly[lead(II)-[mu]-4,4-bipyridine-N:N'-di-[mu]-bromo]

Y. Cui, J. Ren, G. Chen, W.-C. Yu and Y. Qian

Synopsis: In the title complex, the Pb centre has a distorted octahedral coordination with four [mu]2-Br ligands and two bridging 4,4-bipyridine (bipy) ligands in trans positions. The bipy group acts as a linear bifunctional bridge forming chains in the direction of the b axis. Pairs of bridging bromides join these into two-dimensional layers.

Formula: [PbBr2(C10H8N2)]

Online December 2000


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Acta Cryst. (2000). C56, e554  [ doi:10.1107/S0108270100015067 ]

Chlorotris(2-methyl-2-phenylpropyl)tin(IV) at 150 K

J. N. Low, J. Wardell, J. A. S. Bomfim and S. M. S. V. Wardell

Synopsis: The structure of the title compound at 150 K is essentially identical to that determined at room temperature, with the expected reduction in cell-axis length.

Formula: [SnCl(C10H13)3]

Online December 2000


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Acta Cryst. (2000). C56, e555-e556  [ doi:10.1107/S0108270100015109 ]

Aquanitro([alpha],[beta],[gamma],[delta]-tetraphenylporphyrinato)cobalt(III) N,N-dimethylformamide disolvate

S. Ohba, M. Eishima and H. Seki

Synopsis: In the title compound, a distorted octahedral CoIII complex shows an orientational disorder such that the positions of the nitro and aqua ligands are exchanged. As a result, the averaged structure has an inversion centre at the Co atom.

Formula: [Co(C44H28N4)(H2O)(NO2)]·2C3H7NO

Online December 2000


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Acta Cryst. (2000). C56, e557-e558  [ doi:10.1107/S0108270100015122 ]

trans-Chlorobis(ethylenediamine-N,N')nitrocobalt(III) nitrate

S. Ohba and M. Eishima

Synopsis: In the title compound, a distorted octahedral CoIII complex shows an orientational disorder such that the positions of the nitro and chloro ligands are exchanged with 84:16% occupancy. The O atoms of the nitrate ion are disordered over two sites.

Formula: [CoCl(NO2)(C2H8N2)2]NO3

Online December 2000


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Acta Cryst. (2000). C56, e559-e560  [ doi:10.1107/S0108270100015134 ]

trans-Chlorobis(ethylenediamine-N,N')nitrocobalt(III) perchlorate

S. Ohba and M. Eishima

Synopsis: In the title compound, two independent CoIII complexes with a distorted octahedral coordination show an orientational disorder. As a result, the averaged structure has inversion centres at the Co atoms. The perchlorate O atoms are disordered over two sites.

Formula: [CoCl(NO2)(C2H8N2)2]ClO4

Online December 2000


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Acta Cryst. (2000). C56, e561  [ doi:10.1107/S0108270100015705 ]

Chloro(1-{3-[2-(diphenylphosphanyl-[kappa]P)ethyl]-[eta]6-benzyl}-3,5-dimethyl-1H-pyrazole-[kappa]N2)ruthenium(II) trifluoromethanesulfonate

B. Therrien and T. R. Ward

Synopsis: The structure of the title compound has been determined and shows structural parameters comparable to those of the previously reported 3,5-bis(trifluoromethyl)pyrazole analogue.

Formula: [RuCl(C26H27N2P)](CF3O3S)

Online December 2000


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Acta Cryst. (2000). C56, e562-e563  [ doi:10.1107/S0108270100016279 ]

A supramolecular cadmium(II) complex: (1,10-phenanthroline)[tris(2-aminoethyl)amine]cadmium(II) dinitrate hydrate

H. Zhang, J. Cai, G. Yang, G.-Q. Xue and L.-N. Ji

Synopsis: The title complex forms a three-dimensional network directed by alternating hydrogen-bonding and [pi]-[pi] interactions.

Formula: [Cd(C6H18N4)(C12H8N2)](NO3)2·H2O

Online December 2000


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Acta Cryst. (2000). C56, e564  [ doi:10.1107/S0108270100017261 ]

The centrosymmetric dimer of dichloro(trimethylsiloxy)aluminium

J. Kouvetakis, C. Ritter and T. L. Groy

Synopsis: The title molecule is dimeric and the O atoms of the trimethylsiloxy groups bridge the two Al atoms to form a four-membered ring.

Formula: [Al2Cl4(C3H9Si)2]

Online December 2000


electronic papers (organic compounds)


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Acta Cryst. (2000). C56, e565-e566  [ doi:10.1107/S0108270100015407 ]

Tetrabromo(2-methylpyridine-N)titanate(IV)

K. Hensen, A. Lemke and M. Bolte

Synopsis: The title compound is the product of the addition reaction of TiBr4 with 2-methylpyridine. It can be described as a slightly distorted trigonal bipyramid. The crystal structure is isomorphous with that of the tetrachloro analogue.

Formula: C6H7Br4NTi

Online December 2000


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Acta Cryst. (2000). C56, e567-e568  [ doi:10.1107/S0108270100014785 ]

1-(1,3-Dithian-2-yl)-2-phenylethanone

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

Synopsis: The title molecule has approximate Cs symmetry. The dithiane ring adopts a chair conformation with the acetyl substituent in an axial orientation. A weak intermolecular C-H...O hydrogen bond (H...O 2.39 Å) involves the H atom at the 2-position of the ring.

Formula: C12H14OS2

Online December 2000


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Acta Cryst. (2000). C56, e569  [ doi:10.1107/S0108270100014797 ]

Furanoeudesmane-B, a new eudesmane sesquiterpenoid from Myoporum bontioides

Q.-G. Wang, C.-L. Ma and J.-J. Zhai

Synopsis: Myoporum bontioides is a folk medicinal plant from the northwest of China. The EtOH extract from the dried root of Myoporum bontioides was chromatographed to give furanoeudesmane-B. The relative stereochemistry has been determined.

Formula: C22H30O5

Online December 2000


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Acta Cryst. (2000). C56, e570-e571  [ doi:10.1107/S0108270100014803 ]

Terrein

J. K. Harper, A. M. Arif, J. Y. Li, G. Strobel and D. M. Grant

Synopsis: A culture of the fungus Pestalotiopsis microspora provided the natural product terrein. The crystal structure, for a sample obtained from methanol solution, is dominated by intermolecular hydrogen bonds.

Formula: C8H10O3

Online December 2000


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Acta Cryst. (2000). C56, e572-e573  [ doi:10.1107/S0108270100014943 ]

Lansoprazole, an antiulcerative drug

K. Vyas, A. Sivalakshmidevi and G. Om Reddy

Synopsis: An intramolecular hydrogen bond between N atoms of the imidazole and pyridine moieties is responsible for the non-extended conformation of lansaprazole. Intermolecular N-H...O hydrogen bonding between imidazole and sulfinyl groups results in chains along the b axis.

Formula: C16H14F3N3O2S

Online December 2000


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Acta Cryst. (2000). C56, e574-e575  [ doi:10.1107/S0108270100014955 ]

Ethyl 2-benzyl-2-nitro-3-phenylpropanoate

T. J. Miller, Y. Fu, F. R. Fronczek and R. P. Hammer

Synopsis: The title compound is the key synthetic intermediate in an efficient synthesis of dibenzylglycine, the [alpha],[alpha]-disubstituted homologue of phenylalanine. It does not have its potential mirror symmetry in the crystal.

Formula: C18H19NO4

Online December 2000


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Acta Cryst. (2000). C56, e576-e577  [ doi:10.1107/S0108270100015699 ]

Rerefinement of decabromodiphenyl ether from new area-detector data

A. A. Mrse, S. F. Watkins and F. R. Fronczek

Synopsis: Refinement of the title compound from 100 K CCD data yields physically reasonable anisotropic displacement parameters for the C atoms, and no anomalous endocyclic angles in the phenyl rings.

Formula: C12Br10O

Online December 2000


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Acta Cryst. (2000). C56, e578-e579  [ doi:10.1107/S010827010001502X ]

The peptide (Z)-Pro-Leuol

F. Fountoulaki, R. Geßmann, H. Brückner and M. Kokkinidis

Synopsis: The structure of the C-terminal dipeptide of several naturally occurring peptaibols has been determined. Crystal packing interactions via intermolecular hydrogen bonds occur only in one direction, while in the other directions, contacts are established via van der Waals interactions.

Formula: C19H28N2O4

Online December 2000


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Acta Cryst. (2000). C56, e580-e581  [ doi:10.1107/S0108270100015031 ]

4-Acetyl-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one hydrate

K. Gloe, B. A. Uzoukwu and O. Rademacher

Synopsis: The title compound is a versatile complexing agent for the solvent extraction of transition metal ions. The structure shows an intermolecular hydrogen bond between the imino N-H group of the ligand and a water molecule, which stabilizes the 1,3-diketone form of the molecule.

Formula: C12H12N2O2·H2O

Online December 2000


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Acta Cryst. (2000). C56, e582-e583  [ doi:10.1107/S0108270100015043 ]

20-Hydroxyimino-5[alpha]-pregna-9(11),16-dien-3[beta]-yl acetate and 17-oxo-5[alpha]-androst-9(11)-en-3[beta]-yl acetate

H. Novoa de Armas, O. M. Peeters, N. M. Blaton, C. J. De Ranter, J. A. Ruíz Garcia, M. Reyes Moreno and Y. M. Alvarez Ginarte

Synopsis: In both title compounds, (I) and (II), respectively, the ester linkage in ring A is equatorial. The six-membered A and B rings have chair conformations, but ring C is a half-chair. The five-membered D ring adopts a 14[alpha]-envelope conformation. The A/B, B/C and C/D ring junctions are trans.

Formula: C23H33NO3 and C21H30O3

Online December 2000


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Acta Cryst. (2000). C56, e584-e585  [ doi:10.1107/S0108270100015092 ]

(-)-epi-Inosose-2

H. Hosomi, S. Ohba, S. Ogawa and A. Takahashi

Synopsis: The structure of the title compound was determined to confirm the position of the keto group in the molecule prepared enantioselectively by a bioconversion from myo-inositol. There are two independent molecules showing similar geometry.

Formula: C6H10O6

Online December 2000


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Acta Cryst. (2000). C56, e586  [ doi:10.1107/S0108270100015201 ]

Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate

D. E. Lynch and I. McClenaghan

Synopsis: The structure of the title compound comprises molecules that form dimers via N-H...N hydrogen-bonding interactions and then construct the overall network through N-H...O associations. The dihedral angle between the phenyl and thiazole rings is 42.41 (6)°.

Formula: C12H12N2O2S

Online December 2000


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Acta Cryst. (2000). C56, e587  [ doi:10.1107/S0108270100015390 ]

Redetermination of 4-(phenyl)thiosemicarbazide

D. E. Lynch and I. McClenaghan

Synopsis: The structure of the title compound comprises twisted molecules that associate via N-H...N and N-H...S hydrogen-bonding interactions. The dihedral angle between the phenyl ring and the five-membered thiosemicarbazide plane is 67.56 (5)°.

Formula: C7H9N3S

Online December 2000


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Acta Cryst. (2000). C56, e588  [ doi:10.1107/S0108270100015730 ]

2-Chloro-3-(pyrrolidin-1-yl)-1,4-naphthoquinone

D. E. Lynch and I. McClenaghan

Synopsis: The structure of the title compound comprises essentially planar molecules which crystallize in a monoclinic lattice. C-H...O interactions exist to both naphthoquinone O atoms and the Cl atom.

Formula: C14H12ClNO2

Online December 2000


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Acta Cryst. (2000). C56, e589-e590  [ doi:10.1107/S0108270100015389 ]

Tetragonal polymorphic modification of tetrakis(N,N-diethyldithiocarbamato-S,S')tellurium(IV)

A. V. Virovets, I. V. Kalinina, V. P. Fedin and D. Fenske

Synopsis: The structure of a new polymorphic modification of the title compound was investigated at room temperature. The geometry of the molecule is close to that found previously in the orthorhombic modification.

Formula: C20H40N4S8Te

Online December 2000


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Acta Cryst. (2000). C56, e591  [ doi:10.1107/S0108270100015687 ]

Tetraammonium benzene-1,2,4,5-tetracarboxylate tetrahydrate

C. L. Bergstrom, R. L. Luck and D. C. Luehrs

Synopsis: The anions in the title compound are held together by regular hydrogen bonds from the carboxylate O atoms to the ammonium cations and water molecules, forming a three-dimensional network.

Formula: 4NH4+·C10H2O84-·4H2O

Online December 2000


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Acta Cryst. (2000). C56, e592-e593  [ doi:10.1107/S0108270100015717 ]

(S)-4-Benzyl-3-[(R)-4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one

S. Sato, T. Yamazaki, N. Shinohara and T. Kitazume

Synopsis: The chiral centre with a CF3 group adopts an R configuration. This provides information on the reaction mechanism for the synthesis.

Formula: C21H20F3NO4

Online December 2000


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Acta Cryst. (2000). C56, e594-e595  [ doi:10.1107/S0108270100015729 ]

Conjugation and hydrogen bonding in a curcumin analogue

A. F. Arrieta, K. A. Haglund and A. Mostad

Synopsis: A correlation between the position of the enol H atom and the conjugation in the title compound is indicated, together with information on the colour of the compound. Weak C-H...O interactions are suggested.

Formula: C16H14O3

Online December 2000


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Acta Cryst. (2000). C56, e596-e597  [ doi:10.1107/S0108270100014761 ]

1H,1'H-2,2'-Bibenzimidazole

J. Sakamoto, T. Nakagawa, N. Kanehisa, Y. Kai and M. Katsura

Synopsis: In the title compound, all the atoms are close to being coplanar (r.m.s deviation 0.0098 Å) except for the imino H atoms. The molecule forms a one-dimensional chain through intermolecular N-H...N hydrogen bonds.

Formula: C14H10N4

Online December 2000


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Acta Cryst. (2000). C56, e598-e599  [ doi:10.1107/S0108270100016280 ]

2-(4-Acetyl-3,5-dihydroxy-2-methylphenoxy)-4,6-dimethoxy-3-methylbenzoic acid

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

Synopsis: In the title compound, the benzene rings are nearly perpendicular to each other. The hydroxy group is involved in an intramolecular O-H...O hydrogen bond with the acetyl O atom and the COOH group forms hydrogen-bonded dimers.

Formula: C19H20O8

Online December 2000


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Acta Cryst. (2000). C56, e600-e601  [ doi:10.1107/S0108270100017005 ]

A dideoxydidehydronucleoside derivative

D. C. Swenson, V. Nair and S. Bera

Synopsis: The title compound crystallizes with two independent molecules in the asymmetric unit, with conformations that differ primarily in the orientation of the acetyl group. The two conformers form A-B-type dimers via N-H...N hydrogen bonds.

Formula: C11H13N3O4

Online December 2000


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Acta Cryst. (2000). C56, e602-e603  [ doi:10.1107/S0108270100017017 ]

Tris[2-(benzoylamino)ethyl]amine

M. J. Goldcamp, J. A. Krause Bauer and M. J. Baldwin

Synopsis: The title compound adopts a folded structure, forming a symmetrical cavity with an average depth of 7.3 Å and width of 4.3 Å. The folded structure is a result of one intramolecular N-H...O hydrogen bond. A linear chain motif along the c axis best describes the extended intermolecular N-H...O hydrogen bonding.

Formula: C27H30N4O3

Online December 2000


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Acta Cryst. (2000). C56, e604-e605  [ doi:10.1107/S0108270100017315 ]

Bis(2-chloro-N-methylpyridinium) iodide triiodide

E. Heigel, H. Bock and A. Seibel

Synopsis: The title compound crystallizes with undulating layers of chains containing alternate iodide and triiodide anions formed from iodine and the heterocyclic iodide salt.

Formula: 2C6H7ClN+·I-·I3-

Online December 2000


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