Crystal Structure Communications

 

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

 

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

 

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

Bis(-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

 

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

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

N. Okabe and M. Tsujita

Formula: [Li(C₅H₃N₄O₂)(H₂O)₂]

Online December 2000

 

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

 

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

[1,1,2,2-(CO)₄-1,2--(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

 

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

Bis{2,6-bis[3-(2,4,6-trimethylphenyl)pyrazol-1-yl-N²]pyridine-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

 

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

 

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

 

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

Hexakis(1H-imidazole-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

 

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

Solvent-free [-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

 

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

 

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

Di--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

 

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

 

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

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

S. Chandrasekar and K. Panchanatheswaran

Formula: C₁₃H₁₀ClNO·C₇H₆O₂

Online December 2000

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

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

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

Formula: C₁₂H₁₅NO₇S

Online December 2000

 

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

 

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

 

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

 

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

-Onocerin chloroform hemisolvate

R. Fröhlich and G. F. Pauli

Formula: C₃₀H₅₀O₂·0.5CHCl₃

Online December 2000

 

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

 

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

(1R,2s,3S,6R,9S)-5,5,10,10-Tetrachloro-2-methyltricyclo[7.2.0.0^3,6]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

 

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

 

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

Two N-ortho-nitrobenzenesulfonyl ,-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

 

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

 

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

 

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

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

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

Formula: C₁₀H₁₄N₂O₅S

Online December 2000

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

 

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

Di--methoxo-bis({N,N'-bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine-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 Cu^II atom is a distorted square pyramid. The CuCu distance is 3.058 (1) Å.

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

Online December 2000

 

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-O_uranyl and U-O_dbm 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-O_sulfoxide distance is 2.427 (4) Å.

Formula: [UO₂(C₁₅H₁₁O₂)(C₁₂H₁₀OS)]

Online December 2000

 

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

 

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

Bis(di--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

 

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

Bromodimethyl(N-methylpyrrolidin-2-one-O)tin(IV)-di--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

 

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

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

 

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

 

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

Aquanitro(,,,-tetraphenylporphyrinato)cobalt(III) N,N-dimethylformamide disolvate

S. Ohba, M. Eishima and H. Seki

Synopsis: In the title compound, a distorted octahedral Co^III 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

 

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 Co^III 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

 

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 Co^III 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

 

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

Chloro(1-{3-[2-(diphenylphosphanyl-P)ethyl]-⁶-benzyl}-3,5-dimethyl-1H-pyrazole-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

 

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 - interactions.

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

Online December 2000

 

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

 

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

 

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 C_s symmetry. The dithiane ring adopts a chair conformation with the acetyl substituent in an axial orientation. A weak intermolecular C-HO hydrogen bond (HO 2.39 Å) involves the H atom at the 2-position of the ring.

Formula: C₁₂H₁₄OS₂

Online December 2000

 

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

 

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

 

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-HO hydrogen bonding between imidazole and sulfinyl groups results in chains along the b axis.

Formula: C₁₆H₁₄F₃N₃O₂S

Online December 2000

 

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 ,-disubstituted homologue of phenylalanine. It does not have its potential mirror symmetry in the crystal.

Formula: C₁₈H₁₉NO₄

Online December 2000

 

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

 

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

 

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

 

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

20-Hydroxyimino-5-pregna-9(11),16-dien-3-yl acetate and 17-oxo-5-androst-9(11)-en-3-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-envelope conformation. The A/B, B/C and C/D ring junctions are trans.

Formula: C₂₃H₃₃NO₃ and C₂₁H₃₀O₃

Online December 2000

 

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

 

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-HN hydrogen-bonding interactions and then construct the overall network through N-HO associations. The dihedral angle between the phenyl and thiazole rings is 42.41 (6)°.

Formula: C₁₂H₁₂N₂O₂S

Online December 2000

 

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-HN and N-HS 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

 

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-HO interactions exist to both naphthoquinone O atoms and the Cl atom.

Formula: C₁₄H₁₂ClNO₂

Online December 2000

 

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

 

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⁺·C₁₀H₂O₈^4-·4H₂O

Online December 2000

 

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

 

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-HO interactions are suggested.

Formula: C₁₆H₁₄O₃

Online December 2000

 

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-HN hydrogen bonds.

Formula: C₁₄H₁₀N₄

Online December 2000

 

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-HO hydrogen bond with the acetyl O atom and the COOH group forms hydrogen-bonded dimers.

Formula: C₁₉H₂₀O₈

Online December 2000

 

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-HN hydrogen bonds.

Formula: C₁₁H₁₃N₃O₄

Online December 2000

 

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-HO hydrogen bond. A linear chain motif along the c axis best describes the extended intermolecular N-HO hydrogen bonding.

Formula: C₂₇H₃₀N₄O₃

Online December 2000

 

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