Acta Crystallographica Section C

Crystal Structure Communications

Volume 55, Part 11 (November 1999)

Cover illustration Cover illustration: trans-Tetrabromobis(3,5-dimethylpyridine)germanium(IV), a non-merohedral twin, see Hensen, Faber & Bolte, pages 1774-1775. Displacement ellipsoids are shown at the 50% probability level.

cif-access (inorganic compounds)

Acta Cryst. (1999). C55, IUC9900133    [ doi:10.1107/S0108270199098601 ]

Redetermination of Nb3O7Cl

J. Kim, Y. Dong and H. Yun

Synopsis: Single crystals of niobium heptaoxide chloride, Nb3O7Cl, have been prepared from a halide flux mixture. The structure consists of a three-dimensional network of distorted Nb octahedra coordinated by O and Cl atoms.

Formula: Nb3O7Cl

Acta Cryst. (1999). C55, IUC9900134    [ doi:10.1107/S0108270199098595 ]


S. K. Kang and G. J. Miller

Synopsis: The title compound, barium disilver, was obtained as a by-product in the reaction of Ba, Ag and Bi mixed in a 2:4:3 molar ratio. This compound adopts the CeCu2 structure type. The shortest Ag-Ag distance is 2.8653(9)Å.

Formula: BaAg2

Acta Cryst. (1999). C55, IUC9900145    [ doi:10.1107/S0108270199098583 ]

Sodium zinc phosphate hydroxide, Na2Zn(OH)PO4

H. Y. Ng and W. T. A. Harrison

Synopsis: The structure of Na2Zn(OH)PO4 [Kabalov, Simonov & Belov (1972). Dokl. Akad. Nauk SSSR, 202, 823-826] has been redetermined and the hydrogen-bonding geometry elucidated. The tetrahedral ZnO4 and PO4 geometrical parameters are normal [dav(Zn-O) = 1.953 (17) Å and dav(P-O) = 1.54 (2) Å].

Formula: Na2Zn(OH)PO4

cif-access (metal-organic compounds)

Acta Cryst. (1999). C55, IUC9900137    [ doi:10.1107/S0108270199098571 ]


A. S. Batsanov, J. A. K. Howard, A. K. Hughes and A. J. Kingsley

Synopsis: The octahedral [TiCl4(dme)] complex (dme is 1,2-dimethoxyethane) has C2 molecular symmetry and is isostructural with its rhenium and molybdenum analogues.

Formula: [TiCl4(C4H10O2)]

Acta Cryst. (1999). C55, IUC9900141    [ doi:10.1107/S010827019909856X ]

fac-Aqua[1,2-bis(diphenylphosphino)ethane-P,P']tricarbonylmanganese tetrafluoroborate (monoclinic form)

T. M. Becker and J. A. Krause Bauer

Synopsis: The title compound, whose aqua ligand is exceedingly labile, crystallizes in a monoclinic form without a solvent molecule of crystallization. A recently observed triclinic form of this complex crystallized as a monohydrate. The Mn-O distance [2.102(3)Å] is consistent with the bond distance reported for the triclinic form [2.075(2)Å] and the related complex [(depe)(CO)3Mn(OH2)]BF4 [2.115(2)Å; depe is 1,2-bis(diethylphosphino)ethane].

Formula: [Mn(C26H24P2)(CO)3(H2O)]BF4

Acta Cryst. (1999). C55, IUC9900146    [ doi:10.1107/S0108270199098558 ]

(2,2'-Bipyridyl-N,N')bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionato-O,O')manganese(II) at 173K

M. H. Dickman

Synopsis: The dihedral angles between the phenyl rings and the dionate chelate atoms of the associated six-membered manganese-containing rings are 19.03(15) and 21.08(13)°.

Formula: [Mn(C10H6F3O2)2(C10H8N2)]

cif-access (organic compounds)

Acta Cryst. (1999). C55, IUC9900142    [ doi:10.1107/S0108270199098546 ]

1,5-Diphenylpentane-2,4-dione and 1,5-bis(2-naphthyl)pentane-2,4-dione

J. T. Pulkkinen and M. J. Ahlgrén

Synopsis: Both title compounds, 1,5-diphenylpentane-2,4-dione, (1), and 1,5-bis(2-naphthyl)pentane-2,4-dione, (2), exist in the enol form and have a planar enol ring with a short crystallographically symmetric hydrogen bond. In addition, the molecules possess twofold rotation symmetry so that the ketone and enol functionalities are completely delocalized.

Formula: C17H16O2 and C25H20O2

Acta Cryst. (1999). C55, IUC9900143    [ doi:10.1107/S0108270199098534 ]

5-Hydroxy-1-phosphabicyclo[3.3.1]nonane P-sulfide

B. Ziemer and B. Krauss

Synopsis: The title compound adopts a chair-chair conformation in the solid state. It does not have effective mirror symmetry because the H atom of the hydroxy group lies markedly out of the mean plane of the central OC2PS unit.

Formula: C8H15OPS

Acta Cryst. (1999). C55, IUC9900148    [ doi:10.1107/S0108270199098522 ]

cis-1-Phosphabicyclo[4.3.0]nonane P-sulfide

B. Krauss and B. Ziemer

Synopsis: In the title compound, the six-membered ring adopts a chair conformation and the five-membered ring an envelope conformation. The two crystallographically independent molecules are insignificantly different.

Formula: C8H15PS

Acta Cryst. (1999). C55, IUC9900144    [ doi:10.1107/S0108270199098510 ]


Y. Hou, P. D. Robinson and C. Y. Meyers

Synopsis: The title compound was found to exist solely as its ap rotamer in both the crystalline form and in solution, the exhibited structural distortions being reflected in the observed rotational hindrance. The more sterically restricted 9-(o-tert-butylphenyl)-9-fluorenol exists solely as its sp rotamer under these conditions.

Formula: C22H20O

Acta Cryst. (1999). C55, IUC9900147    [ doi:10.1107/S0108270199098509 ]

ap-9-(o-Isopropylphenyl)-9-fluorenyl peroxide

P. D. Robinson, Y. Hou and C. Y. Meyers

Synopsis: The centrosymmetry of the title compound results in parallelism of the phenyl as well as the fluorene planes. The phenyl planes are nearly perpendicular to their respective fluorene planes and each isopropyl group almost impinges on its fluorene plane, imposing substantial angular distortion.

Formula: C44H38O2

Acta Cryst. (1999). C55, IUC9900131    [ doi:10.1107/S0108270199098492 ]

(+)-(2S,3S,4S,5S,RS)-4-Hydroxy-2-{N-[(R)-1-Hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoylmethyl}-3-methyl-1-azabicyclo[3.3.0]octane at 153K

T. Heinrich, M. Reggelin and J. W. Bats

Synopsis: The title structure was determined at 153K to establish the absolute configuration of the chiral centers. The N atom of the pyrrolizidine group is pyramidal. Both five-membered rings have approximate twist conformations, with pseudo-twofold axes passing through the N atom. The crystal packing shows intermolecular O-H...O, O-H...N and C-H...O hydrogen bonds.

Formula: C21H34N2O3S

Acta Cryst. (1999). C55, IUC9900138    [ doi:10.1107/S0108270199098480 ]


A. J. Kresge, A. J. Lough and V. V. Popik

Synopsis: The structure of the title substance was determined in order to ascertain whether it or the isomeric 1,3-dihydrobenzo[c]furan-1-carboxylic acid is produced on photolysis of 4-diazoisochroman-3-one in aqueous solution.

Formula: C9H8O3

Acta Cryst. (1999). C55, IUC9900139    [ doi:10.1107/S0108270199098479 ]

1,3-Dihydrobenzo[c]thiophene-1-carboxylic acid

A. J. Kresge, A. J. Lough and V. V. Popik

Synopsis: The structure determination of the title substance was undertaken in order to ascertain whether it or the isomeric compound 4-hydroxyisothiochroman-3-one is produced on photolysis of 4-diazoisothiochroman-3-one in aqueous solution.

Formula: C9H8O2S

Acta Cryst. (1999). C55, IUC9900140    [ doi:10.1107/S0108270199098467 ]


A. J. Kresge, A. J. Lough and V. V. Popik

Synopsis: The structure of the title substance was determined in order to ascertain whether it or the isomeric compound 2-(N-methylamino)cyanoacetic acid is produced by photolysis of 2-diazo-N-methylcyanoacetamide.

Formula: C4H6N2O2

Acta Cryst. (1999). C55, IUC9900135    [ doi:10.1107/S0108270199098455 ]


H. C. Lim, T. Y. Tou, S. W. Ng, Y.-Q. Huang, S.-Z. Hu, P. Rapta, Y. L. Chow and J.-I. Ishiyama

Synopsis: The B atom in the title compound is chelated by the 1,3-diphenylpropene-1,3-dionate [B-O 1.363(3) and 1.370(3)Å] and naphthalene-2,3-diolate [B-O 1.298(3) and 1.309(3)Å] groups; the two chelate rings are orthogonal to one another [dihedral nobreak angle 89.9(1)Å].

Formula: C25H17BO4

Acta Cryst. (1999). C55, IUC9900132    [ doi:10.1107/S0108270199098443 ]

A triclinic polymorph of (R,R)-(-)-trans-1,4-dioxaspiro[4,5]decane-2,3-diylbis(diphenylmethanol)

H. Hamazaki, H. Hosomi and S. Ohba

Synopsis: The title compound is a polymorph (Z = 2, space group P1) of the orthorhombic form reported by Toda, Tanaka, Miyamoto, Koshima, Miyahara & Hirotsu [J. Chem. Soc. Perkin Trans. 2 (1997), pp. 1877-1885]. There is an intramolecular O-H...O hydrogen bond in each molecule, with the second hydroxy group free and not participating in hydrogen bonding.

Formula: C34H34O4

Acta Cryst. (1999). C55, IUC9900136    [ doi:10.1107/S0108270199098431 ]


A. Yu. Kovalevsky and I. I. Ponomarev

Synopsis: The title molecule is approximately planar, with the nitro group strongly conjugated with the [bold pi]-system. Ab initio calculations indicate that the distortion of the exo angles of the cyclic C(Ar)-C(=O)-O fragment arises from intramolecular rather than intermolecular effects.

Formula: C9H6N2O4

inorganic compounds

Acta Cryst. (1999). C55, 1739-1741    [ doi:10.1107/S0108270199008689 ]

Diammonium titanium pentafluoride, (NH4)2TiF5, containing Ti3+

M. Dadachov and L. Eriksson

Synopsis: The title compound consists of parallel infinite chains of trans-corner-connected TiF6 octahedra along the b axis, separated from each other by NH4+ ions.

Formula: (NH4)2TiF5

Acta Cryst. (1999). C55, 1741-1743    [ doi:10.1107/S0108270199009634 ]

Silver-ion conduction pathways in Ag5IP2O7

S. Adams and A. Preusser

Synopsis: All the Ag+ ions in Ag5IP2O7 are coordinated by both oxide and iodide, ruling out the hypothesis of purely iodide-coordinated conduction pathways in this Ag+ ionic conductor.

Formula: Ag5IP2O7

Acta Cryst. (1999). C55, 1743-1746    [ doi:10.1107/S0108270199007787 ]

Cadmium sodium trivanadate

L. El Ammari, M. Azrour, W. Depmeier, K.-F. Hesse and B. Elouadi

Synopsis: Cd3.23Na1.41V0.36(VO4)3 crystallizes with monoclinic symmetry. The structure is built up from infinite chains of MO6 (M = Cd, V and Na) octahedra linked by VO4 tetrahedra. The structure has tunnels running along the c axis.

Formula: Cd3.23Na1.41V0.36(VO4)3

Acta Cryst. (1999). C55, 1746-1748    [ doi:10.1107/S0108270199008793 ]


D. R. Aris, W. Errington and G. R. Willey

Synopsis: The structure of the title compound features In atoms in a distorted fac-octahedral geometry and involves a three-dimensional network of intermolecular hydrogen bonding. It is the first structurally characterized example of a discrete trihydrate of a Group 13 MIII halide (M = B, Al, Ga or In).

Formula: [InCl3(H2O)3]

Acta Cryst. (1999). C55, 1748-1751    [ doi:10.1107/S0108270199008549 ]


J. Ellermeier, C. Näther and W. Bensch

Synopsis: Rb2MoS4 crystallizes in the [beta]-K2SO4 type. The structure contains tetrahedral MoS42- anions connected via Rb+ cations.

Formula: Rb2MoS4

Acta Cryst. (1999). C55, 1751-1753    [ doi:10.1107/S0108270199010045 ]

Manganese-rich natural Franklinite

A. C. Doriguetto and N. G. Fernandes

Synopsis: The almost normal spinel structure for Mn-rich natural Franklinite has been confirmed. The best cation distribution was determined to be (Zn0.65(1)Mn0.35(1))[Fe2]O4.

Formula: (Zn0.65Mn0.35)Fe2O4

Acta Cryst. (1999). C55, 1753-1755    [ doi:10.1107/S0108270199008616 ]

Tl2MoO4 at 350K

K. Friese, G. Madariaga and T. Breczewski

Synopsis: The structure of Tl2MoO4 is isostructural with glaserite. The Mo atom is tetrahedrally coordinated by O atoms, and the three independent Tl+ ions are coordinated by six, nine and 12 O atoms, respectively.

Formula: Tl2MoO4

Acta Cryst. (1999). C55, 1755-1757    [ doi:10.1107/S0108270199009038 ]

Orthorhombic InFe0.33Ti0.67O3.33

Y. Michiue, F. Brown, N. Kimizuka, M. Watanabe, M. Orita and H. Ohta

Synopsis: The title compound is closely related to InFeO3, consisting of alternating layers of InO6 octahedra and FeO5 trigonal bipyramids. According to substitution of Ti4+ for Fe3+, excess O atoms are introduced into the Fe-O trigonal lattice plane of InFeO3.

Formula: InFe0.33Ti0.67O3.33

Acta Cryst. (1999). C55, 1757-1759    [ doi:10.1107/S0108270199009427 ]

Refinement of CaBa2(HPO4)2(H2PO4)2

L. Ben Tahar, L. Smiri and A. Driss

Synopsis: The structure of CaBa2(HPO4)2(H2PO4)2 consists of infinite [Ca(HPO4)2(H2PO4)2] anionic chains, built up from CaO6, HPO4 and H2PO4 polyhedra linked via Ca-O-P bonds. These chains are held together by nine-coordinate Ba2+ cations. A two-dimensional network of hydrogen bonds contributes to the linkage of these chains.

Formula: CaBa2(HPO4)2(H2PO4)2

metal-organic compounds

Acta Cryst. (1999). C55, 1760-1762    [ doi:10.1107/S0108270199009683 ]

Yttrium sodium oxalate tetrahydrate, [Y(H2 O)]Na(C2O4)2.3H2O

T. Bataille and D. Louër

Synopsis: The structure of yttrium sodium oxalate tetrahydrate consists of corrugated layers of ninefold-coordinated Y atoms linked together by oxalate groups. Na atoms and water molecules are intercalated between the layers.

Formula: [Y(H2O)]Na(C2O4)23H2O

Acta Cryst. (1999). C55, 1762-1764    [ doi:10.1107/S0108270199008811 ]

1,1'-Diacetylferrocene bis(thiosemicarbazone) monohydrate

W. Xiao, Z.-L. Lu, R.-Y. Li, C.-Y. Su, B.-S. Kang, S. Shanmuga Sundara Raj and H.-K. Fun

Formula: [Fe(C8H10N3S)2]H2O

Acta Cryst. (1999). C55, 1764-1766    [ doi:10.1107/S0108270199008987 ]

Di-[bold mu]-azido-bis{[2-(2-aminoethyl)pyridine-N,N']aquacopper(II)} diperchlorate

I. A. Razak, H.-K. Fun, K. Chinnakali, S. Shanmuga Sundara Raj, J.-C. Liu and X.-Z. You

Formula: [Cu2(N3)2(C7H10N2)2(H2O)2](ClO4)2

Acta Cryst. (1999). C55, 1766-1769    [ doi:10.1107/S0108270199009397 ]

(1R,2R)-(-)-[Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine]chloromanganese(III), an (R,R)-Jacobsen catalyst

J. W. Yoon, T.-S. Yoon, S. W. Lee and W. Shin

Formula: [MnCl(C36H52N2O2)]

Acta Cryst. (1999). C55, 1769-1771    [ doi:10.1107/S0108270199010331 ]

Transition metal complexes with pyrazole-derived ligands. X. [Zn(CH3COO)2L2].2MeOH (L = 3-amino-5-phenylpyrazole)

Z. K. Jacimovic, Z. D. Tomic, G. A. Bogdanovic, E. Z. Iveges and V. M. Leovac

Formula: [Zn(C2H3O2)2(C9H9N3)2]2CH4O

Acta Cryst. (1999). C55, 1772-1773    [ doi:10.1107/S0108270199010458 ]

cis-Bis(ethylenediamine)bis(pyridine)nickel(II) dinitrate

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

Formula: [Ni(C2H8N2)2(C5H5N)2](NO3)2

Acta Cryst. (1999). C55, 1774-1775    [ doi:10.1107/S0108270199010409 ]

trans-Tetrabromobis(3,5-dimethylpyridine)germanium(IV), a non-merohedral twin

K. Hensen, A. Faber and M. Bolte

Formula: [GeBr4(C7H9N)2]

Acta Cryst. (1999). C55, 1775-1778    [ doi:10.1107/S0108270199009464 ]

Phase transition in bis(ethyldimethylammonium) pentachloroantimonate(III)

M. Bujak and J. Zaleski

Formula: (C4H12N)2[SbCl5]

Acta Cryst. (1999). C55, 1778-1780    [ doi:10.1107/S0108270199007581 ]

[N-Acetyl-N'-methylureato(2 -)-N,N']([bold eta]5-pentamethylcyclopentadienyl)(triphenylphosphine-P)iridium(III) chloroform solvate

M. B. Dinger, W. Henderson, A. G. Oliver and C. E. F. Rickard

Formula: [Ir(C10H15)(C4H6N2O2)(C18H15P)]CHCl3

Acta Cryst. (1999). C55, 1780-1784    [ doi:10.1107/S010827019900829X ]

Triaqua(2,2'-bipyridyl-N,N')(thiosulfato-S)nickel(II) dihydrate and triaqua(1,10-phenanthroline-N,N')(thiosulfato-S)nickel(II) monohydrate

E. Freire, S. Baggio, R. Baggio and L. Suescun

Formula: [Ni(S2O3)(C10H8N2)(H2O)3]2H2O and [Ni(S2O3)(C12H8N2)(H2O)3]H2O

Acta Cryst. (1999). C55, 1784-1785    [ doi:10.1107/S0108270199009191 ]

[[bold mu]-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dibromomercury(II)

F. B. Kaynak, D. Ülkü, O. Atakol and S. Durmus

Formula: [CuHgBr2(C17H16N2O2)]

Acta Cryst. (1999). C55, 1785-1789    [ doi:10.1107/S0108270199008628 ]

[ReO2(dppp)2]Ix[ReO4]1-x.xH2O.CH3OH for x = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane]

L. Suescun, A. W. Mombrú, R. A. Mariezcurrena, C. Kremer, M. Rivero, E. Kremer, S. Domínguez and A. Mederos

Formula: [ReO2(C27H26P2)2]Ix[ReO4]1-xxH2OCH3OH [x = 0.17 (1), 0.36 (1) and 1]

Acta Cryst. (1999). C55, 1789-1791    [ doi:10.1107/S0108270199010355 ]

The salt of the di-[bold mu]-chloro-bis[tetrachlorozirconium(IV)] anion with protonated 1,3,5-trimethoxybenzene as cation

S. J. Coles, M. B. Hursthouse and D. G. Kelly

Formula: (C9H13O3)2[Zr2Cl10]

Acta Cryst. (1999). C55, 1791-1793    [ doi:10.1107/S0108270199009476 ]

[[bold mu]-N,N'-Bis(2-pyridylethyl)oxamide]bis[acetatocopper(II)]

R. H. P. Francisco, M. T. doP. Gambardella, A. M. G. D. Rodrigues, M. de Paula and G. F. de Sousa

Formula: [Cu2(C2H3O2)2(C16H16N4O2)]

Acta Cryst. (1999). C55, 1793-1797    [ doi:10.1107/S0108270199009221 ]

Dichlorobis(pyrimidine-N)cobalt(II) and its bromo derivative

D. Hashizume, R. Takayama, K. Nakayama, T. Ishida, T. Nogami, M. Yasui and F. Iwasaki

Formula: [CoCl2(C4H4N2)2] and [CoBr2(C4H4N2)2]

Acta Cryst. (1999). C55, 1797-1798    [ doi:10.1107/S0108270199009658 ]

Bis-adduct of trimethylamine with aluminium trichloride

T. Gelbrich, U. Dümichen and J. Sieler

Formula: [AlCl3(C3H9N)2]

Acta Cryst. (1999). C55, 1799-1800    [ doi:10.1107/S0108270199009403 ]

A tetranuclear copper(I) cluster complex with a benzeneselenolate ligand, (Me4N)2[Cu4(SePh)6].CH3OH

X. Jin, K. Tang, Y. Long and Y. Tang

Formula: (C4H12N)2[Cu4(C6H5Se)6]CH4O

Acta Cryst. (1999). C55, 1800-1802    [ doi:10.1107/S0108270199009488 ]

Bis(pyrimidine-2-thiolato-N,S)bis(trimethyl phosphite-P)cobalt(III) hexafluorophosphate

Y.-X. Tong, C.-Y. Su, B.-S. Kang, X.-L. Yu and X.-M. Chen

Formula: [Co(C4H3N2S)2(C3H9O3P)2]PF6

Acta Cryst. (1999). C55, 1802-1804    [ doi:10.1107/S0108270199010008 ]

Bis[2-(1,3-benzothiazol-2-yl)phenolato-O,N]chlorooxorhenium(V)-dichloromethane (1/1.5)

K. Panneerselvam, T.-H. Lu, S.-F. Tung, P. Chattopadhyay, J.-M. Lo and C.-S. Chung

Formula: [Re(C13H8NOS)2ClO]1.5CH2Cl2

Acta Cryst. (1999). C55, 1804-1806    [ doi:10.1107/S0108270199008823 ]

(2-Benzoylpyridine-N thiosemicarbazonato-N1,S)chloronickel(II)

Z.-H. Liu, Y.-J. Liu, C.-Y. Duan and X.-Z. You

Formula: [Ni(C13H11N4S)Cl]

Acta Cryst. (1999). C55, 1806-1809    [ doi:10.1107/S0108270199009087 ]

Tris[3,6-bis(2-pyridyl)pyridazine-N1,N6]nickel(II) diperchlorate 0.11-hydrate

J.-S. Wang, C.-F. Sheu and J.-S. Lee

Formula: [Ni(C14H10N4)3](ClO4)20.11H2O

Acta Cryst. (1999). C55, 1809-1812    [ doi:10.1107/S0108270199008859 ]

Anion-controlled [bold pi]-stacks of (ethylenediamine-N,N')(1,10-phenanthroline-N,N')platinum(II)

M. Kato and J. Takahashi

Formula: [Pt(C2H8N2)(C12H8N2)]Cl22H2O and [Pt(C2H8N2)(C12H8N2)](PF6)2

Acta Cryst. (1999). C55, 1812-1813    [ doi:10.1107/S0108270199008847 ]


G. Hoshina, M. Tsuchimoto and S. Ohba

Formula: [VO(C21H24N2O4)]

Acta Cryst. (1999). C55, 1814-1815    [ doi:10.1107/S0108270199009919 ]

The first amidozirconium(IV)-porphyrin complex: cis-[bis(trimethylsilyl)amido]chloro(tetraphenylporphyrinato)zirconium(IV)

H.-J. Kim and K. Kim

Formula: [ZrCl(C44H28N4)(C6H18NSi2)]

Acta Cryst. (1999). C55, 1815-1817    [ doi:10.1107/S0108270199009294 ]

Tetraaqua(1,10-phenanthroline)zinc(II) sulfate dihydrate

C. Zhang, K. Yu, D. Wu and C. Zhao

Formula: [Zn(C12H8N2)(H2O)4]SO42H2O

Acta Cryst. (1999). C55, 1817-1819    [ doi:10.1107/S0108270199009312 ]


Y. Ohgo, T. Ikeue and M. Nakamura

Formula: [Fe(C32H36N4)Cl]

Acta Cryst. (1999). C55, 1819-1821    [ doi:10.1107/S0108270199009300 ]

N-(Tropon-2-yl)-1,4,7,10-tetraoxa-13-azacyclopentadecane with calcium thiocyanate

K. Kubo, E. Yamamoto, N. Kato and A. Mori

Formula: [Ca(NCS)2(C17H25NO5)]

organic compounds

Acta Cryst. (1999). C55, 1822-1824    [ doi:10.1107/S0108270199009671 ]

1,8-Bis(dimethylamino)naphthalene bis[6-fluoro-2-(trifluoromethyl)-4-quinolinol] acetonitrile solvate

P. Vergeer, H. Kooijman, A. M. M. Schreurs, J. Kroon and E. Grech

Formula: C14H19N2+C10H4F4NO-C10H5F4NOC2H3N

Acta Cryst. (1999). C55, 1824-1826    [ doi:10.1107/S0108270199009853 ]

1,8-Bis(dimethylaminomethyl)naphthalene bis(squaric acid) dihydrate

B. Bouma, H. Kooijman, J. Kroon, E. Grech and B. Brzezinski

Formula: 2C16H23N2+C4O42-2H2O

Acta Cryst. (1999). C55, 1826-1829    [ doi:10.1107/S010827019900966X ]


S. C. Jain, J. Sinha, S. Bhagat, B. R. Babu, S. Bali and W. Errington

Formula: C21H17FN4O3S

Acta Cryst. (1999). C55, 1829-1831    [ doi:10.1107/S0108270199010367 ]

5-Acetoxy-2,3-diphenylisoxazolidine and 5-acetoxy-3-(4-nitrophenyl)-2-phenylisoxazolidine

S. Mukherjee, V. S. Parmar and W. Errington

Formula: C17H17NO3 and C17H16N2O5

Acta Cryst. (1999). C55, 1831-1833    [ doi:10.1107/S0108270199010112 ]

A new polymorph of sulfathiazole

D. S. Hughes, M. B. Hursthouse, T. Threlfall and S. Tavener

Formula: C9H9N3O2S2

Acta Cryst. (1999). C55, 1833-1835    [ doi:10.1107/S0108270199010379 ]


I. D. Cunningham, M. E. Light and M. B. Hursthouse

Formula: C8H7ClN2

Acta Cryst. (1999). C55, 1835-1837    [ doi:10.1107/S0108270199009762 ]

Filic-3-ene, a pentacyclic triterpene from Davallia canariensis

J. González-Platas, C. Ruiz-Pérez, A. G. González, M. Hernández Silva, C. García, M. C. Alfayate and J. Bermejo

Formula: C30H50

Acta Cryst. (1999). C55, 1837-1839    [ doi:10.1107/S010827019900918X ]

4[beta],15-Dihydro-3-dehydrosolstitialin A

J. González-Platas, C. Ruiz-Pérez, A. G. González, J. Bermejo and K. Medjroubi

Formula: C15H20O5

Acta Cryst. (1999). C55, 1839-1841    [ doi:10.1107/S0108270199009117 ]

11-Carboxylatomethyl-15-carboxymethyl-11,15-diazonia-3,23-dioxa-28-thiatetracyclo[,9.017,22]octacosa-4,6,8,17,19,21,25,27-octaene bromide

Y.-H. Zhang, S. Chantrapromma, S. Shanmuga Sundara Raj, H.-K. Fun, Y.-P. Tian, F.-X. Xie and Z.-Y. Chen

Formula: C27H31N2O6S+Br-

Acta Cryst. (1999). C55, 1841-1843    [ doi:10.1107/S0108270199009890 ]


S. Shao, D. Zhu, Y. Song, X. Z. You, S. Shanmuga Sundara Raj and H.-K. Fun

Formula: C12H10N4O2

Acta Cryst. (1999). C55, 1843-1845    [ doi:10.1107/S0108270199009907 ]


H.-K. Fun, S. Shanmuga Sundara Raj, K. Chinnakali, J.-Z. Tian, Z. Shen, J.-Q. Zhang and X.-Z. You

Formula: C11H14ClNO2

Acta Cryst. (1999). C55, 1845-1847    [ doi:10.1107/S0108270199009105 ]

5-Nitroisophthalic acid hydrate

A. K. Mahapatra, A. Adak, S. Goswami, G. D. Nigam, K. Chinnakali, S. Shanmuga Sundara Raj, I. A. Razak and H.-K. Fun

Formula: C8H5NO6H2O

Acta Cryst. (1999). C55, 1847-1849    [ doi:10.1107/S010827019900921X ]


J. K. Ray, S. Gupta, S. Shanmuga Sundara Raj and H.-K. Fun

Formula: C24H24O2

Acta Cryst. (1999). C55, 1849-1850    [ doi:10.1107/S0108270199009543 ]


J. K. Ray, D. Pan, S. Shanmuga Sundara Raj and H.-K. Fun

Formula: C14H12OS

Acta Cryst. (1999). C55, 1850-1852    [ doi:10.1107/S0108270199010136 ]


S. Isik, S. Öztürk, H.-K. Fun, E. Agar and S. Sasmaz

Formula: C24H24Br2N2O4S2

Acta Cryst. (1999). C55, 1852-1854    [ doi:10.1107/S0108270199009270 ]

C-H...O interactions in acenaphthene-5,6-dicarboxylic anhydride

A. C. Blackburn, L. J. Fitzgerald and R. E. Gerkin

Formula: C14H8O3

Acta Cryst. (1999). C55, 1855-1857    [ doi:10.1107/S010827019900983X ]

Network of C-H...O interactions in dimethyl anthracene-1,8-dicarboxylate

W. D. Aumiller and R. E. Gerkin

Formula: C18H14O4

Acta Cryst. (1999). C55, 1857-1859    [ doi:10.1107/S0108270199009063 ]

3-(2-Methylphenyl)propanoic acid

R. E. Gerkin

Formula: C10H12O2

Acta Cryst. (1999). C55, 1859-1861    [ doi:10.1107/S010827019900904X ]

2',5'-Dimethylbiphenyl-2-carboxylic acid

R. E. Gerkin

Formula: C15H14O2

Acta Cryst. (1999). C55, 1861-1862    [ doi:10.1107/S0108270199008860 ]

Absolute configuration of 2,4,6-tri-tert-butyl-diphenylselenonium-N-toluene-4'-sulfonimide

M. Yasui, H. Taka, T. Shimizu, N. Kamigata and F. Iwasaki

Formula: C31H41NO2SSe

Acta Cryst. (1999). C55, 1862-1864    [ doi:10.1107/S0108270199009099 ]


R. Pajewski, A. Pecak, R. Ostaszewski and J. Jurczak

Formula: C40H48O4

Acta Cryst. (1999). C55, 1865-1867    [ doi:10.1107/S0108270199003650 ]

N-[3-(Cytosin-1-yl)propionyl]-L-isoleucine, a heavily hydrated structure with four cytosine-isoleucine hybrids in the asymmetric unit

M. Doi, K. Tsunemichi, A. Asano, M. Tarui, T. Ishida and M. Shiono

Formula: 4C13H20N4O49.5H2O

Acta Cryst. (1999). C55, 1867-1870    [ doi:10.1107/S0108270199010422 ]

Hexamethylenetetramine is a fourfold acceptor of O-H...N hydrogen bonds in its 1:2 adduct with 2,2'-biphenol

E. J. MacLean, C. Glidewell, G. Ferguson, R. M. Gregson and A. J. Lough

Formula: C6H12N42C12H10O2

Acta Cryst. (1999). C55, 1870-1873    [ doi:10.1107/S0108270199008008 ]

The 17-spiro lactide of cortienic acid: a probe for studying the active sites of steroidal receptors

A. J. Mora, B. M. Ramírez, G. Delgado and R. Little

Formula: C23H30O6

Acta Cryst. (1999). C55, 1873-1874    [ doi:10.1107/S0108270199010148 ]

1-[(1,3-Dihydro-2-benzothienyl)acetyl]-1H-indole S-oxide

R. L. Luck, D. K. Bates, K. Li and M. Xia

Formula: C18H15NO2S

Acta Cryst. (1999). C55, 1874-1877    [ doi:10.1107/S0108270199009567 ]

Hydrogen bonding in two piperidinium derivatives

M. Freytag and P. G. Jones

Formula: C5H12NO+I- and C6H14N+C7H12NO2-H2O

Acta Cryst. (1999). C55, 1877-1881    [ doi:10.1107/S0108270199008975 ]

A rhodanine derivative and its cycloadduct with diphenyl nitrile imine

A. Linden, E. M. A. H. Awad and H. Heimgartner

Formula: C16H11NOS2 and C29H21N3OS2

Acta Cryst. (1999). C55, 1881-1882    [ doi:10.1107/S010827019901046X ]

An unexpected oxidation product of [alpha]-santonin

R. B. Bates, B. L. Malik, S. K. Paknikar, K. J. McClure and M. D. Carducci

Formula: C15H18O5

Acta Cryst. (1999). C55, 1882-1885    [ doi:10.1107/S0108270199009208 ]

DL-Cysteine at 298K

P. Luger and M. Weber

Formula: C3H7NO2S

Acta Cryst. (1999). C55, 1885-1888    [ doi:10.1107/S0108270199010343 ]

1:1 Adducts of 4-picoline with methylcatecholborane and phenylcatecholborane

W. Clegg, A. J. Scott, F. E. S. Souza and T. B. Marder

Formula: C13H14BNO2 and C18H16BNO2

Acta Cryst. (1999). C55, 1888-1889    [ doi:10.1107/S0108270199008835 ]

An o-xylyl cross-bridged 5,12-dioxocyclam

T. J. Hubin, N. Tyryshkin, N. W. Alcock and D. H. Busch

Formula: C18H26N4O2H2O

Acta Cryst. (1999). C55, 1890-1892    [ doi:10.1107/S0108270199008963 ]

Centrosymmetric molecular strings in the hydrogen-bonded structure of 4,4'-bipyridyl-4,4'-thiodiphenol (3/2)

A. J. Lough, R. M. Gregson, G. Ferguson and C. Glidewell

Formula: 3C10H8N22C12H10O2S

Acta Cryst. (1999). C55, 1892-1896    [ doi:10.1107/S010827019900952X ]

Self-templating of large rings by small rings in 4,4'-bipyridyl-3,4-dihydroxy-3-cyclobutene-1,2-dione (2/3)

E. J. MacLean, P. S. Wheatley, G. Ferguson and C. Glidewell

Formula: 2C10H10N22+2C4HO4-C4O42-

Acta Cryst. (1999). C55, 1896-1899    [ doi:10.1107/S0108270199009531 ]

A three-dimensional hydrogen-bonded framework in piperazine-3,4-dihydroxy-3-cyclobutene-1,2-dione-water (1/1/2)

E. J. MacLean, P. S. Wheatley, G. Ferguson, C. Glidewell and A. J. Lough

Formula: C4H12N22+C4O42-2H2O at 100 and 150 K

Acta Cryst. (1999). C55, 1899-1902    [ doi:10.1107/S0108270199010380 ]

(+)-trans-Pinononic acid: hydrogen-bonding patterns in a non-racemic [bold delta]-keto acid

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

Formula: C9H14O3

Acta Cryst. (1999). C55, 1902-1905    [ doi:10.1107/S0108270199010124 ]

(+)-3-Oxoglycyrrhetinic acid: catemeric hydrogen bonding in a non-racemic triterpenoid diketo acid

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

Formula: C30H44O4

Acta Cryst. (1999). C55, 1905-1908    [ doi:10.1107/S0108270199009245 ]

(±)-3-Benzoylbicyclo[2.2.1]heptane-2-carboxylic acid: structures and hydrogen-bonding patterns of the di-endo and the 2-endo-3-exo isomers

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

Formula: Two isomers of C15H16O3

Acta Cryst. (1999). C55, 1908-1911    [ doi:10.1107/S0108270199009555 ]

(+)-cis-Pinonic acid: catemeric hydrogen bonding in a non-racemic [bold epsilon]-keto acid

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

Formula: C10H16O3

Acta Cryst. (1999). C55, 1911-1913    [ doi:10.1107/S010827019900949X ]

N,N'-Bis(3-methoxyphenyl)-1,8:4,5-naphthalenetetracarboximide-trifluoroacetic acid-phenol (1/2.5/0.5)

A. Yu. Kovalevsky, O. V. Shishkin, I. I. Ponomarev and S. V. Shishkina

Formula: C28H18N2O62.5C2HF3O20.5C6H6O

Acta Cryst. (1999). C55, 1914-1915    [ doi:10.1107/S0108270199009385 ]

N,N'-(Pyridine-2,6-diyl)bis(naphthalenedicarboximide) trifluoroacetic acid monohydrate

A. Yu. Kovalevsky, O. V. Shishkin and I. I. Ponomarev

Formula: C29H15N3O4C2HF3O2H2O

Acta Cryst. (1999). C55, 1915-1918    [ doi:10.1107/S0108270199009646 ]


O. Ya. Borbulevych, O. V. Shishkin, Z. N. Budarina, M. Yu. Antipin and L. P. Olekhnovich

Formula: C14H10N4O6S

Acta Cryst. (1999). C55, 1918-1920    [ doi:10.1107/S0108270199009233 ]


O. Ya. Borbulevych, O. V. Shishkin and V. N. Knyazev

Formula: C15H22N4O8

Acta Cryst. (1999). C55, 1920-1921    [ doi:10.1107/S0108270199009166 ]


O. Ya. Borbulevych, S. V. Kurbatov, G. S. Vaslyaeva, M. Yu. Antipin and L. P. Olekhnovich

Formula: C15H13N3O6

Acta Cryst. (1999). C55, 1921-1923    [ doi:10.1107/S0108270199010203 ]

2,2'-Bipyridine-5-sulfonic acid

A. D. Burrows, R. W. Harrington and M. F. Mahon

Formula: C10H8N2O3S

Acta Cryst. (1999). C55, 1923-1926    [ doi:10.1107/S0108270199009841 ]

1:1 Complexes of chloranilic acid with pyrazine and morpholine: one- and two-dimensional hydrogen-bond networks

H. Ishida and S. Kashino

Formula: C4H4N2C6H2Cl2O4 and C4H10NO+C6HCl2O4-

Acta Cryst. (1999). C55, 1926-1928    [ doi:10.1107/S0108270199008276 ]


J. Jeyakanthan, D. Velmurugan, S. Selvi and P. T. Perumal

Formula: C16H12N4O5

Acta Cryst. (1999). C55, 1929-1930    [ doi:10.1107/S0108270199010185 ]

4-(1H,3H+-1,3-Benzimidazol-2-ylio)pyridine N-oxide dihydrogenphosphate monohydrate

B.-G. Zhang, Y.-J. Liu, S.-H. Gou, C.-Y. Duan and X.-Z. You

Formula: C12H10N3O+H2PO4-H2O

Acta Cryst. (1999). C55, 1930-1932    [ doi:10.1107/S0108270199009269 ]


J. Zukerman-Schpector, R. L. Camillo, J. V. Comasseto, R. L. O. R. Cunha, F. C. D. Lemos and I. Caracelli

Formula: C12H13Cl3OTe

Acta Cryst. (1999). C55, 1932-1934    [ doi:10.1107/S010827019900877X ]

Tetrakis(cyclopropylammonium) cyclotetraphosphate tetrahydrate

E. H. Soumhi, I. Saadoune, A. Driss and T. Jouini

Formula: 4C3H8N+P4O124-4H2O

Acta Cryst. (1999). C55, 1935-1937    [ doi:10.1107/S0108270199008938 ]

Conformational flexibility of carpaine and its hydrobromide derivative

V. Kabaleeswaran, S. S. Rajan, G. N. Krishnakumari and T. R. Govindachari

Formula: C28H50N2O4 and C28H52N2O42+2Br-H2O

Acta Cryst. (1999). C55, 1938-1939    [ doi:10.1107/S0108270199009579 ]

4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium tetraphenylborate

D.-C. Zhang, L.-Q. Ge, T.-Z. Zhang, Y.-Q. Zhang and K.-B. Yu

Formula: C16H18NO2+C24H20B-

Acta Cryst. (1999). C55, 1939-1941    [ doi:10.1107/S0108270199009816 ]


S. Özbey, E. Kendi, B. Tozkoparan and M. Ertan

Formula: C17H10ClN3OS

Acta Cryst. (1999). C55, 1941-1943    [ doi:10.1107/S0108270199009014 ]

Configurational analysis of 14,14-dimethyl-12-oxatricyclo[,8]tetradeca-3,5,7-trien-13-one

R. Zimmer, G. Zahn, F. A. Khan and H.-U. Reissig

Formula: C15H18O2

Acta Cryst. (1999). C55, 1943-1945    [ doi:10.1107/S0108270199010082 ]


D. R. Billodeaux, F. R. Fronczek and Y. Dürüst

Formula: C12H18N2O3

Acta Cryst. (1999). C55, 1945-1947    [ doi:10.1107/S0108270199010069 ]

7-Chloro-(R)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide and 7-chloro-(S)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide

L. Dupont, P. de Tullio, S. Khelili, F. Somers, J. Delarge and B. Pirotte

Formula: (R)- and (S)-C15H20ClN3O2S

Acta Cryst. (1999). C55, 1947-1950    [ doi:10.1107/S010827019901015X ]

The anomers of 8-aza-7-deaza-2'-deoxyadenosine

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

Formula: Two anomers of C10H13N5O3

Acta Cryst. (1999). C55, 1950-1952    [ doi:10.1107/S0108270199009026 ]


I. Wolska and F. Herold

Formula: C14H14N2O2

Acta Cryst. (1999). C55, 1952-1955    [ doi:10.1107/S010827019900880X ]

Salannin and 3-deacetylsalannin

V. Kabaleeswaran, S. S. Rajan, G. Gopalakrishnan and T. R. Govindachari

Formula: C34H44O9 and C32H42O8

addenda and errata

Acta Cryst. (1999). C55, 1956    [ doi:10.1107/S0108270199013931 ]

Flemiculosin, a novel chalcone

K. Bhattacharyya, S. K. Mazumdar, G. Bocelli, A. Cantoni, A. B. Ray, P. Khattri and G. Mazumdar

Synopsis: Erratum to Acta Cryst. (1999), C55, 215-217.

Formula: C14H23NO8

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