Acta Crystallographica Section C

Crystal Structure Communications

Volume 55, Part 9 (September 1999)

Cover illustration Cover illustration: Aqua(benzo-15-crown-5)lithium--hexa-mu-iodotetracopper--benzo-15-crown-5 (2/1/2), bis\[bis(benzo-15-crown-5)caesium\] hexa-mu-iodotetracopper and mu-aqua-bis\[aqua(18-crown-6)sodium\] hexa-mu-iodotetracopper, see Nurtaeva & Holt, pages 1453-1457. Displacement ellipsoids are shown at the 50% probability level.

cif-access (inorganic compounds)

Acta Cryst. (1999). C55, IUC9900099    [ doi:10.1107/S0108270199098935 ]

Disodium zinc germanium tetraoxide

A. M. Healey, M. Webster and M. T. Weller

Synopsis: Hydrothermally grown single crystals of the title compound, Na2ZnGeO4, are monoclinic [space group Pn (No.7)]. The structure is confirmed; recognition of the true monoclinic symmetry with pseudo-orthorhombic twinning enabled refinement to R = 0.022 from data measured at 150K.

Formula: Na2ZnGeO4

cif-access (metal-organic compounds)

Acta Cryst. (1999). C55, IUC9900098    [ doi:10.1107/S0108270199098923 ]

2,2'-Iminodipyridinium(1+) dichlorotriphenylstannate and 2,2'-iminodipyridinium(1+) tricyclohexylbis(trifluoroacetato)stannate

S. W. Ng

Synopsis: The Sn atom in 2,2'-iminodipyridinium(1+) dichlorotriphenylstannate, (C10H10N3)[SnCl2(C6H5)3], shows trans-C3SnCl2 trigonal-bipyramidal coordination. The stannate anion is linked by hydrogen bonds to adjacent counter-ions to form a chain. 2,2'-Iminodipyridinium(1+) bis(trifluoroacetato)tricyclohexylstannate, (C10H10N3)[Sn(C2F3O2)(C6H11)3], adopts a similar hydrogen-bonded chain structure.

Formula: (C10H10N3)[SnCl2(C6H5)3] and (C10H10N3)[Sn(C2F3O2)(C6H11)3]

Acta Cryst. (1999). C55, IUC9900103    [ doi:10.1107/S0108270199098911 ]

trans-Bis(tert-butylisocyanido-C)bis(triphenylphosphine-P)rhodium(I) nido-7,8-dicarbaundecarboranide

G. Ferguson, P. A. McEneaney and T. R. Spalding

Synopsis: In the crystal structure of the title compound, the Rh atom lies on an inversion centre and has a square-planar geometry with Rh-P = 2.3217(6), Rh-C = 1.954(2)Å and P-Rh-C = 86.74(7)°. The carborane anion lies about a twofold axis and is disordered.

Formula: [Rh(C5H9N)2(C18H15P)2](C2H12B9)

Acta Cryst. (1999). C55, IUC9900106    [ doi:10.1107/S010827019909890X ]

Octacarbonyl-1[bold kappa]4C,2[bold kappa]4C-[bold mu]-dicyclohexylphosphido-1:2[bold kappa]2P:P-triphenylphosphine-2[bold kappa]P-silverdirhenium(2 Re--Ag)

U. Flörke and H.-J. Haupt

Synopsis: The title compound shows a nearly planar PRe2Ag ring with significantly different Re-Ag single-bond lengths of 2.7957(7) and 2.8235(7)Å.

Formula: [Re2Ag(C12H22P)(C18H15P)(CO)8]

Acta Cryst. (1999). C55, IUC9900107    [ doi:10.1107/S0108270199098893 ]


Q.-H. Jin, X.-L. Xin and F.-J. Zhu

Synopsis: In the structure of the title complex, [CuBr(phen)(PPh3)], the coordination polyhedron with copper as the central atom is a distorted tetrahedron, with two N atoms of phenathroline, one Br atom and one P atom of PPh3 occupying the four corners.

Formula: [CuBr(C12H8N2)(C18H15P)]

Acta Cryst. (1999). C55, IUC9900108    [ doi:10.1107/S0108270199098881 ]

Bis(2,2'-bipyridine)(pyridine-2-carboxylate)ruthenium(II) hexafluorophosphate at 173K

K. Lashgari, R. Norrestam and B. Åkermark

Synopsis: The structure of the title compound, bis(2,2'-bipyridine-N,N')(pyridine-2-carboxylate-N,O)ruthenium( II) hexafluorophosphate, determined at 173K, is in good agreement with the structure determined at 295K [Canty et al. (1997). Inorg. Chim. Acta, 255, 117-123]. The coordination formed by five N atoms and one O atom around the RuII ion deviates substantially from octahedral symmetry. The relatively large thermal parameters of the F atoms in the PF6 anion can be assumed as being due to substantial rigid group vibrations.

Formula: [Ru(C6H4O2)(C10H8N2)2]PF6

cif-access (organic compounds)

Acta Cryst. (1999). C55, IUC9900104    [ doi:10.1107/S010827019909887X ]

Domperidone maleate

K. Vyas, J. Moses Babu and G. Om Reddy

Synopsis: Domperidone maleate or 4-[5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl]-1-[(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]piperidinium maleate, an antiemetic drug, crystallizes as a 2.5-hydrate. The hydrogen-bonding interactions between the drug molecule, the maleate group and the water molecules stabilize the molecules in the lattice. Further stability comes from stacking interactions among the benzimidazole rings.

Formula: C22H25ClN5O2+C4H3O4-2.5H2O

Acta Cryst. (1999). C55, IUC9900105    [ doi:10.1107/S0108270199098868 ]

N-tert-Butyl-3-oxo-4-aza-5[beta],17[beta]-androstane-17-carboxamide methanol solvate, a finasteride impurity

J. Moses Babu, Y. Ravindra Kumar, K. Vyas, G. Om Reddy, S. T. Rajan and M. S. N. Reddy

Synopsis: The title compound was isolated during impurity profiling of the drug finasteride. This molecule is a saturated form of finasteride where the A/B ring junction is cis. The compound is a methanol solvate and there are hydrogen-bonding interactions between the androstane and methanol solvate molecules.

Formula: C23H38N2O2CH4O

Acta Cryst. (1999). C55, IUC9900100    [ doi:10.1107/S0108270199098856 ]

Estradiol methanol hemisolvate

D. A. Parrish and A. A. Pinkerton

Synopsis: Initiation and progress of the majority of breast cancer cases are influenced by a family of hormones called estrogens. Estradiol is one of the three naturally occurring estrogens. This submission reports estradiol in a previously unknown crystal modification as the methanol hemisolvate.

Formula: C18H24O20.5CH4O

Acta Cryst. (1999). C55, IUC9900101    [ doi:10.1107/S0108270199098844 ]

N,N'-Diethyl-4,4'-bipyridinium diiodide

N. A. Eckert, J. A. Krause Bauer and W. B. Connick

Synopsis: In the title compound, each I atom is situated 3.80Å from the ring centroid of a nearby pyridium ring, with shortest iodide contacts to that ring in the range 4.02-4.05Å. The closest contacts from iodide to the dication are in the range 3.77-4.05Å, with shortest distances to the N and ortho-C atoms of 3.843(3) and 3.770(4)Å, respectively.

Formula: C14H18N22+2I-

Acta Cryst. (1999). C55, IUC9900102    [ doi:10.1107/S0108270199098832 ]

2,2,6,6-Tetramethyl-4-(methylsulfonyloxy)piperidinyl 1-oxide

C. L. Homrighausen and J. A. Krause Bauer

Synopsis: The title compound is a stable radical with the piperidine ring adopting a chair conformation. The nitroxyl bond length is 1.283(2)Å and the N-O. bond forms an angle of 19.9 (2)° with the CNC plane; the C-N-C angle is 124.5 (2)°.

Formula: C10H20NO4S

Acta Cryst. (1999). C55, IUC9900110    [ doi:10.1107/S0108270199098820 ]

Dimethyl 2-(5,8-dichloro-10-oxotricyclo[,7]tetradeca-2(7),3,5,11-tetraen-6-ylmethyl)malonate

S. Meinhardt, M. Schürmann, H. Preut and P. Eilbracht

Synopsis: The title compound is a tricyclic polyfunctional system bearing an aromatic ring with a chlorine and a methylmalonate substituent, and a bicyclo[3.3.2]decane subunit with another chlorine and an enone functionality.

Formula: C20H20Cl2O5

Acta Cryst. (1999). C55, IUC9900109    [ doi:10.1107/S0108270199098819 ]

Redetermination of tert-butylhydrazinium chloride

H. Schumann, J. Gottfriedsen and S. Dechert

Synopsis: The structure of the title compound, [(CH3)3CNH2NH2]Cl, first determined by Hökelek & Yagbasen [Acta Cryst. (1988), C44, 723-725], has been redetermined. In contrast to the previous investigation, no hydrochloride moiety was found. The present structure consists of [(CH3)3C(NH2)(NH2)]+ cations and Cl- anions connected by hydrogen bonds.

Formula: C4H13N2+Cl-

Acta Cryst. (1999). C55, IUC9900111    [ doi:10.1107/S0108270199098807 ]

(±)-(3'a[alpha],3'b[alpha],6'a[alpha],7'a[alpha])- and (±)-(3'a[alpha],3'b[beta],6'a[beta],7'a[alpha])-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-5,5-dimethylspiro[1,3-dioxane-2,5'-pentaleno[2,1-b]furan]-2'-one

J. W. Bats, S. H. Öhlinger and J. Mulzer

Synopsis: The crystal structures of the title compounds, (±)-(3'a[alpha],3'b[alpha],-6'a[alpha],7'a[alpha])-, (I), and (±)-(3'a[alpha],3'b[beta],6'a[beta],7'a[alpha])-, (II), have been determined at 134 and 135 K, respectively. The pentaleno[2,1-b]furan group has an endo conformation in (I) and an exo conformation in (II). The axial C-C bond attached to the spiro center is about 0.02Å longer than the equatorial C-C bond.

Formula: C15H22O4 and C15H22O4

inorganic compounds

Acta Cryst. (1999). C55, 1381-1383    [ doi:10.1107/S0108270199007477 ]

Polymeric triamminetetrakis([bold mu]-cyano)dicuprate(I)copper(II)

V. Vrábel, J. Garaj, J. Sivý and D. Oktavec

Synopsis: The crystal structure of the title mixed-valence copper-cyanide complex comprises infinite polymeric double chains. The geometry about the CuI centres is approximately trigonal pyramidal, and each CuII centre adopts a slightly distorted square-pyramidal coordination, with one NH3 ligand being disordered equally over two alternative sites.

Formula: [Cu3(CN)4(NH3)3]

Acta Cryst. (1999). C55, 1383-1384    [ doi:10.1107/S0108270199007805 ]

A mixed transition metal molybdate, [beta]-(Co0.7Fe0.3)MoO4

H. Ehrenberg, I. Svoboda, M. Wiesmann and H. Weitzel

Synopsis: The crystal structure of the mixed transition-metal molybdate [beta]-AMoO4, with A = 30% Fe and 70% Co, is built up from AO6 octahedra and MoO4 tetrahedra. The Fe and Co distribution is different for the two A sites.

Formula: Co0.7Fe0.3MoO4

Acta Cryst. (1999). C55, 1384-1388    [ doi:10.1107/S0108270199007799 ]

Potassium [beta]''-aluminogallate

K. Edström

Synopsis: The title compound is a non-stoichiometric ionic conductor with the chemical formula K1.67Mg0.67(Al10.33-xGax)O17, where x = 1.75. This corresponds to a 17% gallium substitution of the aluminium spinel block framework. The gallium substitution influences the mobile K+ ion distribution and hence the ion conductivity.

Formula: K1.67Mg0.67Al8.58Ga1.75O17

Acta Cryst. (1999). C55, 1388-1391    [ doi:10.1107/S0108270199006265 ]

(NH4)2[Mg4(H2O)18(H2W12O42)].10H2O, a new compound containing chains formed by magnesium and paradodecahedral tungstate ions

J. Li, R.-J. Wang and C. C. Torardi

Synopsis: The polyanion chain, extending along the b direction, is formed by MgO6 octahedra sharing O atoms from different paradodecatungstate groups.

Formula: (NH4)2[Mg4(H2O)18(H2W12O42)]10H2O

Acta Cryst. (1999). C55, 1391-1393    [ doi:10.1107/S0108270199005144 ]

K2NbAlO2[(As,Nb)O4]2, isostructural with KTiOPO4

T. Nakagawa, T. Matsumoto, V. I. Chani and T. Fukuda

Synopsis: The title compound, potassium niobium aluminium arsenate (KNAA), is isostructural with KTiOPO4 (KTP). In KNAA, the site corresponding to the Ti1 sites of KTP is occupied mostly by Nb atoms, the Ti2 site is occupied predominantly by Al atoms, and the As1 and As2 tetrahedral sites are occupied mostly by As atoms.

Formula: K2NbAlO2[(As0.8Nb0.2)O4]2

Acta Cryst. (1999). C55, 1393-1395    [ doi:10.1107/S0108270199007623 ]

Zinc cadmium thiocyanate (ZCTC)

Y.-P. Tian, W.-T. Yu, Q. Fang, X.-Q. Wang, D.-R. Yuan, D. Xu and M.-H. Jiang

Synopsis: The title non-linear optical material has tetrahedral Zn and Cd atoms connected in a three-dimensional network by Cd-S=C=N-Zn bridges which are linear at C and N, but bent at S.

Formula: ZnCd(SCN)4

Acta Cryst. (1999). C55, 1395-1398    [ doi:10.1107/S0108270199003637 ]

Polyphosphates de strontium Sr(PO3)2 formes [beta] et [bold gamma]

M. Graia, A. Driss et T. Jouini

Synopsis: The structure of [bold gamma]-Sr(PO3)2 consists of (Sr4O22)n double chains and infinite (PO3)n polyphosphate chains linked together by sharing edges and corners. The structure of [beta]-Sr(PO3)2 has been redetermined.

Formula: beta- et gamma-Sr(PO3)2

Acta Cryst. (1999). C55, 1398-1399    [ doi:10.1107/S010827019900637X ]

Sodium zinc hydroxide selenite, NaZn2(OH)(SeO3)2

W. T. A. Harrison and M. L. F. Phillips

Synopsis: The title compound is built up from ZnO6 octahedra, SeO3 pyramids and NaO4 tetrahedra, sharing vertices and edges. It is iso- structural with NaCo2(OH)(SeO3)2.

Formula: NaZn2(OH)(SeO3)2

Acta Cryst. (1999). C55, 1400-1401    [ doi:10.1107/S0108270199007568 ]


K.-F. Hsu and S.-L. Wang

Synopsis: Dibarium gallium hydrogen bis(diphosphate) was synthesized by high temperature-pressure hydrothermal reaction. The structure consists of infinite chains of corner-sharing GaO6 octahedra and H0.5P2O7 groups, which are topologically similar to that found in Cs2GaH3(P2O7)2.

Formula: Ba2GaH(P2O7)2

metal-organic compounds

Acta Cryst. (1999). C55, 1402-1403    [ doi:10.1107/S0108270199006423 ]

A complex containing CuI linearly coordinated by two tetracyclic tetraamines

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

Formula: [Cu(C12H22N4)2]PF6

Acta Cryst. (1999). C55, 1404-1406    [ doi:10.1107/S0108270199007817 ]

The square-pyramidal PdII complex of a cross-bridged tetraazamacrocycle

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

Formula: [PdCl(C14H30N4)]Cl2H2O

Acta Cryst. (1999). C55, 1406-1408    [ doi:10.1107/S0108270199007490 ]

cis-Bis(cyanomethyl)bis(triphenylphosphine)platinum(II)-dichloromethane (1/0.6)

W. Henderson and A. G. Oliver

Formula: [Pt(C2H2N)2(C18H15P)2]0.6CH2Cl2

Acta Cryst. (1999). C55, 1408-1410    [ doi:10.1107/S010827019900757X ]

cis-Bis(phenoxyacetato-O)bis(triphenylphosphine-P)platinum(II) dichloromethane solvate

W. Henderson and A. G. Oliver

Formula: [Pt(C8H7O3)2(C18H15P)2]CH2Cl2

Acta Cryst. (1999). C55, 1410-1411    [ doi:10.1107/S010827019900699X ]


S. Shanmuga Sundara Raj, H.-K. Fun, D.-Z. Niu, Z.-S. Lu, B.-W. Sun, B.-L. Song and X.-Z. You

Formula: [Ni(C6H6NOS)2]

Acta Cryst. (1999). C55, 1412-1413    [ doi:10.1107/S0108270199008197 ]

[4-(4-Methylphenyl)-3,5-bis(2-pyridyl)-4H-1,2,4-triazole]bis(triphenylphosphine)silver(I) perchlorate

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

Formula: [Ag(C19H15N5)(C18H15P)2]ClO4

Acta Cryst. (1999). C55, 1413-1416    [ doi:10.1107/S0108270199006447 ]


G. Gökaugaç, L. Tatar, D. Kisakürek and D. Ülkü

Formula: [Cu(C6H2Cl3O)2(NH3)2]

Acta Cryst. (1999). C55, 1416-1418    [ doi:10.1107/S0108270199007076 ]

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

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

Formula: [CuHgCl2(C17H16N2O2)]

Acta Cryst. (1999). C55, 1418-1420    [ doi:10.1107/S0108270199008057 ]

Ammonium diaqua(ethylenediaminetetraacetato)scandium(III) trihydrate

Y.-W. Zhang, Z.-M. Wang, J.-T. Jia, C.-S. Liao and C.-H. Yan

Formula: (NH4)[Sc(C10H12N2O8)(H2O)2)]3H2O

Acta Cryst. (1999). C55, 1420-1422    [ doi:10.1107/S0108270199007696 ]

catena-Poly[[diaqua(3-cyanobenzoato-O,O')erbium]-bis-[bold mu]-(3-cyanobenzoato-O:O')]

B.-Q. Ma, S. Gao, Z.-M. Wang, T. Yi, C.-H. Yan and G.-X. Xu

Formula: [Er(C8H4NO2)3(H2O)2]

Acta Cryst. (1999). C55, 1422-1425    [ doi:10.1107/S0108270199006836 ]

Bis(4,4'-disulfanediyldipyridinium) di-[bold mu]-chloro-bis[dichlorocuprate(II)] bis(tetrafluoroborate)

A. J. Blake, N. R. Champness, P. A. Cooke and J. E. B. Nicolson

Formula: (C10H10N2S2)2[Cu2Cl6](BF4)2

Acta Cryst. (1999). C55, 1425-1427    [ doi:10.1107/S0108270199004588 ]

(1,4-Dioxane-O){3,3',5,5'-tetrachloro-2,2'-[4-methyl-4-azaheptane-1,7-diylbis(nitrilomethylidyne-N)]diphenolato-O,O'}nickel(II), [Ni(3,5-Cl4salMetrien)]

L. Gomes, D. Pinho, C. Freire and B. de Castro

Formula: [Ni(C21H21Cl4N3O2)(C4H8O2)]

Acta Cryst. (1999). C55, 1427-1429    [ doi:10.1107/S010827019900743X ]


M. Parvez, S. Ali, M. H. Bhatti, M. N. Khokhar, M. Mazhar and S. I. Qureshi

Formula: [Sn(C4H9)3(C7H6NO4)]

Acta Cryst. (1999). C55, 1429-1431    [ doi:10.1107/S0108270199007180 ]


M. Parvez, S. Ali, M. Mazhar, M. H. Bhatti and M. A. Choudhary

Formula: [Sn(CH3)3(C9H10NO4S)]

Acta Cryst. (1999). C55, 1431-1434    [ doi:10.1107/S0108270199006988 ]

Dimeric (pyrazole-N2)(N-salicylidene-2,2-dimethylglycinato-O,N,O')copper(II) pyrazole solvate

E. Hill and S. A. Warda

Formula: [Cu2(C11H11NO3)2(C3H4N2)2]2C3H4N2

Acta Cryst. (1999). C55, 1434-1436    [ doi:10.1107/S0108270199008215 ]


P. Thuéry, M. Nierlich, M.-C. Charbonnel and J.-P. Dognon

Formula: [La(NO3)3(C15H30N2O3)2]

Acta Cryst. (1999). C55, 1436-1438    [ doi:10.1107/S010827019900760X ]

Bis[[bold mu]-2,2',2''-nitrilotriethanethiolato(2 -)-N,S,S':S']dinickel(II)

S. C. Davies, D. J. Evans, D. L. Hughes and S. Longhurst

Formula: [Ni2(C6H13NS3)2]

Acta Cryst. (1999). C55, 1438-1440    [ doi:10.1107/S0108270199006733 ]


T. Hökelek and H. Necefouglu

Formula: [Co(C7H5O3)2(C6H6N2O)2(H2O)2]

Acta Cryst. (1999). C55, 1440-1443    [ doi:10.1107/S0108270199007647 ]

[Fe(HL)Cl2].EtOH, where HL is the monoanion of benzoylacetone S-n-propylisothiosemicarbazone

G. Argay, A. Kálmán and V. M. Leovac

Formula: [Fe(C14H18N3OS)Cl2]C2H6O

Acta Cryst. (1999). C55, 1443-1447    [ doi:10.1107/S0108270199008264 ]

N,N,N',N'-Tetramethylguanidinium tetrachloroantimonate(III) at 295 and 92K

M. Bujak, P. Osadczuk and J. Zaleski

Formula: (C5H14N3)[SbCl4] at 295 and 92 K

Acta Cryst. (1999). C55, 1447-1449    [ doi:10.1107/S0108270199007295 ]

Bis(dicyclohexylammonium) tributyl(nitrilotriacetato)stannate

S. W. Ng

Formula: (C12H24N)2[Sn(C4H9)3(C6H6NO6)]

Acta Cryst. (1999). C55, 1449-1451    [ doi:10.1107/S0108270199007532 ]

[bold mu]-Oxo-bis[mer-trichlorobis(tetrahydrofuran-O)zirconium(IV)]

J. Guan, E. Siebel and R. D. Fischer

Formula: [Zr2Cl6O(C4H8O)4]

Acta Cryst. (1999). C55, 1451-1453    [ doi:10.1107/S0108270199006551 ]


G. Hoshina, S. Ohba and M. Tsuchimoto

Formula: [VO(C30H24N2O4)]

Acta Cryst. (1999). C55, 1453-1457    [ doi:10.1107/S0108270199007040 ]

Aqua(benzo-15-crown-5)lithium-hexa-[bold mu]-iodotetracopper-benzo-15-crown-5 (2/1/2), bis[bis(benzo-15-crown-5)caesium] hexa-[bold mu]-iodotetracopper and [bold mu]-aqua-bis[aqua(18-crown-6)sodium] hexa-[bold mu]-iodotetracopper

A. Nurtaeva and E. M. Holt

Formula: [Li(C14H20O5)(H2O)]2[Cu4I6]2C14H20O5, [Cs(C14H20O5)2]2[Cu4I6] and [Na2(C12H24O6)2(H2O)3][Cu4I6]

Acta Cryst. (1999). C55, 1457-1460    [ doi:10.1107/S0108270199007982 ]

Tetraaqua(2,2'-bipyridyl-N,N')cadmium(II) sulfate and catena-poly[[[diaqua(2,2'-bipyridyl-N,N')cadmium(II)]-[bold mu]-(sulfato-O:O')] hydrate]

M. Harvey, S. Baggio, R. Baggio and A. Mombrú

Formula: [Cd(C10H8N2)(H2O)4]SO4 and [Cd(SO4)(C10H8N2)(H2O)2]H2O

Acta Cryst. (1999). C55, 1461-1463    [ doi:10.1107/S0108270199007866 ]


G. W. V. Cave, W. Errington and J. P. Rourke

Formula: [PdI(C5H3ClN)(C18H15P)2]

Acta Cryst. (1999). C55, 1463-1466    [ doi:10.1107/S0108270198017508 ]

Commensurately modulated 1/4 and 1/5 phases of deuterated betaine calcium chloride dihydrate: a neutron structural study

O. Hernandez, J.-M. Kiat, A. Cousson, W. Paulus, J. M. Ezpeleta and F. J. Zúñiga

Synopsis: The structures of the commensurate 1/4 and 1/5 phases of the displacively modulated compound D-BCCD [deuterated betaine (trimethylammonioacetate) calcium chloride dihydrate, i.e. (CD3)3NCD2COOCaCl2(D2O)2 or CaCl2.C5D11NO2.2D2O] have been determined by single-crystal neutron diffraction at 100 and 68 K, respectively. The structural model of the 1/4 phase is found to be quite different from that obtained previously from X-ray diffraction data of the hydrogenated compound.

Formula: CaCl2C5D11NO22D2O at 100 and 68 K

Acta Cryst. (1999). C55, 1466-1470    [ doi:10.1107/S0108270199006812 ]

Polymorphs of [(2S,3S)-[alpha]-Me-N,N'-bis(salicylidene)butane-2,3-diaminato]bis(pyridine)cobalt(III) tetrafluoroborate hydrate

S. Sato, T. Fukuda, K. Ishii, Y. Nakano and Y. Fujii

Formula: [Co(C20H22N2O2)(C5H5N)2]BF4xH2O, with x = 1.5 and 1.7

Acta Cryst. (1999). C55, 1470-1472    [ doi:10.1107/S0108270199006848 ]

A maleate-bridged dinuclear bipyridine-containing zinc(II) complex

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

Formula: [Zn2(C4H2O4)2(C10H8N2)2(H2O)2]2H2O

Acta Cryst. (1999). C55, 1472-1475    [ doi:10.1107/S0108270199006915 ]

A dihomonuclear complex: di-[bold mu]-methacrylato-O:O'-bis[(1,10-phenanthroline-N,N')bis(methacrylato-O,O')ytterbium(III)]

W. Lu, X. Luo, B. Wu, J. Mao and X. Jiang

Formula: [Yb2(C4H5O2)6(C12H8N2)2]

Acta Cryst. (1999). C55, 1475-1479    [ doi:10.1107/S0108270199007313 ]

Tricarbonylchromium complexes of four methyl 4,6-O-[([bold eta]6-phenyl)alkylidene]-[alpha]-D-glucopyranosides

C. E. F. Rickard, Y. Singh, P. D. Woodgate and Z. Zhao

Formula: Four Cr(CO)3-alpha-D-glucopyranoside complexes

Acta Cryst. (1999). C55, 1479-1482    [ doi:10.1107/S0108270199007556 ]

Bis{2-[1-(thiosemicarbazono)ethyl]pyridinium} hexakis(nitrato-O,O')thorate(IV) tetramethanol solvate

U. Abram, E. Bonfada and E. Schulz Lang

Formula: (C8H11N4S)2[Th(NO3)6]4CH4O

Acta Cryst. (1999). C55, 1482-1483    [ doi:10.1107/S0108270199007143 ]

Chloro(p-chloroanilido-N)bis([bold eta]5-pentamethylcyclopentadienyl)uranium(IV)

R. G. Peters, B. L. Scott and C. J. Burns

Formula: [UCl(C10H15)2(C6H5ClN)]

Acta Cryst. (1999). C55, 1483-1485    [ doi:10.1107/S0108270199006563 ]

Tetrakis([bold mu]-6-chloropyridin-2-olato)methoxydiruthenium(II, III)

K.-T. Youm, Y. Kim and M.-J. Jun

Formula: [Ru2(C5H3ClNO)4(CH3O)]

organic compounds

Acta Cryst. (1999). C55, 1486-1489    [ doi:10.1107/S0108270199006356 ]

Four interpenetrating three-dimensional frameworks in the hydrogen-bonded structure of 5-hydroxyisophthalic acid-4,4'-trimethylenedipyridine (1/1)

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

Formula: C13H15N2+C8H5O5-

Acta Cryst. (1999). C55, 1489-1492    [ doi:10.1107/S0108270199006319 ]

Linking of C44(32)[R44(30)] chains of rings in the hydrogen-bonded adduct 3,5-dihydroxybenzoic acid-4,4'-bipyridine (2/3) by means of [bold pi]...[bold pi] stacking interactions

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

Formula: 2C7H6O43C10H8N2

Acta Cryst. (1999). C55, 1492-1494    [ doi:10.1107/S010827019900654X ]


C. J. Brennan and V. McKee

Formula: C6H10N4

Acta Cryst. (1999). C55, 1494-1496    [ doi:10.1107/S010827019900671X ]

1,4,7,10,13,16,21,24-Octaazabicyclo[8.8.8]hexacosa-4,6,13,15,21,23-hexaene pentahydrate

V. McKee and J. Nelson

Formula: C18H30N85H2O

Acta Cryst. (1999). C55, 1496-1499    [ doi:10.1107/S0108270199007891 ]

C-H...O interactions in dimethyl 6,6'-dimethoxy-3,3',5,5'-tetramethylbiphenyl-2,2'-dicarboxylate

A. J. Dobson and R. E. Gerkin

Formula: C22H26O6

Acta Cryst. (1999). C55, 1499-1503    [ doi:10.1107/S0108270199006885 ]

Hydrogen bonding and C-H...X interactions in two triclinic phases of 4-carboxyquinolinium chloride monohydrate

A. J. Dobson and R. E. Gerkin

Formula: C10H8NO2+Cl-H2O

Acta Cryst. (1999). C55, 1503-1506    [ doi:10.1107/S0108270199007684 ]

Bis(1,10-phenanthrolin-1-ium) chlorodiiodide(1 -) dichloroiodide(1 -)

Y.-Q. Wang, Z.-M. Wang, C.-S. Liao and C.-H. Yan

Formula: 2C12H9N2+I2Cl-ICl2-

Acta Cryst. (1999). C55, 1506-1508    [ doi:10.1107/S0108270199007775 ]

1,10-Phenanthrolinium(2+) dichloroiodide(1 -) chloride

Z.-M. Wang, Y.-Q. Wang, C.-S. Liao and C.-H. Yan

Formula: C12H10N22+ICl2-Cl-

Acta Cryst. (1999). C55, 1508-1511    [ doi:10.1107/S0108270199007192 ]

3,9-Dimethyl-1,11-diphenyl-4,8-diazaundecane-1,11-dione dihydrate

Y. Elerman, M. Kabak, H. Kara, K. Güven and C. Nakipoglu

Formula: C23H26N2O22H2O

Acta Cryst. (1999). C55, 1511-1512    [ doi:10.1107/S0108270199006095 ]


M. Kabak, Y. Elerman, V. Güner, S. Yildirir and T. N. Durlu

Formula: C15H11Cl2NO

Acta Cryst. (1999). C55, 1513-1514    [ doi:10.1107/S0108270199006149 ]


R. Sankaranarayanan, S. Shanmuga Sundara Raj, D. Velmurugan and H.-K. Fun

Formula: C17H21NO2

Acta Cryst. (1999). C55, 1515-1517    [ doi:10.1107/S0108270199006393 ]

Two tetramethylxanthenediones

J. Jeyakanthan, S. Shanmuga Sundara Raj, D. Velmurugan, H.-K. Fun and P. Murugan

Formula: C17H22O3 and C23H25NO5

Acta Cryst. (1999). C55, 1517-1519    [ doi:10.1107/S0108270199008021 ]

Bis[4-(2-methoxycarbonyl-5-thienyl)]phenyl ether

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

Formula: C24H18O5S2

Acta Cryst. (1999). C55, 1519-1522    [ doi:10.1107/S0108270199007003 ]

Methyl 1-(4-chlorobenzyl)-2-oxocyclohexane-1-carboxylate and methyl (2RS,4aRS,8aRS)-2-(4-chlorobenzyl)-3-oxoperhydronaphthalene-2-carboxylate

H. Surya Prakash Rao, S. Rajamathe, S. Shanmuga Sundara Raj, K. Chinnakali, I. A. Razak and H.-K. Fun

Formula: C15H17ClO3 and C19H23ClO3

Acta Cryst. (1999). C55, 1522-1524    [ doi:10.1107/S0108270199005879 ]

Intramolecular N-H...[bold pi](phenyl) and intermolecular C-H...[bold pi](phenyl) interactions in 5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidino-1,6-naphthyridine-8-carbonitrile--benzene(2/1)

R. Thirumurugan, S. Shanmuga Sundara Raj, G. Shanmugam, H.-K. Fun, V. Raghukumar and V. T. Ramakrishnan

Formula: C27H25N5O0.5C6H6

Acta Cryst. (1999). C55, 1525-1526    [ doi:10.1107/S0108270199006435 ]

Chloro(diisopropylamino)(phenyl)phosphine sulfide

S. Renganayaki, E. Subramanian, S. Shanmuga Sundara Raj and H.-K. Fun

Formula: C12H19ClNPS

Acta Cryst. (1999). C55, 1526-1528    [ doi:10.1107/S0108270199007908 ]


S. Shanmuga Sundara Raj, H.-K. Fun, D.-R. Zhu, F.-F. Jian, K. Zhang and X.-Z. You

Formula: C13H8N6

Acta Cryst. (1999). C55, 1528-1530    [ doi:10.1107/S0108270199006897 ]


A. Aatif, A. Baouid, H. Hasnaoui, A. Benharref et M. Pierrot

Formula: C26H24N4O

Acta Cryst. (1999). C55, 1530-1533    [ doi:10.1107/S0108270199006290 ]

4-(Triphenylmethyl)phenol-triphenylphosphine oxide (1/1)

R. K. R. Jetti, H.-C. Weiss, V. R. Thalladi, R. Boese, A. Nangia and G. R. Desiraju

Formula: C25H20OC18H15OP

Acta Cryst. (1999). C55, 1533-1534    [ doi:10.1107/S0108270199006459 ]


P. Marchand, S. Masson, D. Rachinel, J.-F. Saint-Clair and M.-T. Averbuch-Pouchot

Formula: C19H31NO5S

Acta Cryst. (1999). C55, 1535-1536    [ doi:10.1107/S0108270199007635 ]

Bis(hydrazinium) 4-hydroxy-1-oxo-2H-phthalazine-6,7-dicarboxylate

A. C. Benniston, D. S. Yufit and J. A. K. Howard

Formula: 2N2H5+C10H4N2O62-

Acta Cryst. (1999). C55, 1536-1538    [ doi:10.1107/S0108270199006824 ]


A. Bond and W. Jones

Formula: C5H5NOS

Acta Cryst. (1999). C55, 1538-1540    [ doi:10.1107/S0108270199007039 ]

The oxidized form of glutathione

C. Jelsch and C. Didierjean

Formula: C20H32N6O12S28H2O

Acta Cryst. (1999). C55, 1541-1542    [ doi:10.1107/S0108270199007210 ]


J. Kopf, A. Lützen and P. Köll

Formula: C15H21NO7

Acta Cryst. (1999). C55, 1542-1545    [ doi:10.1107/S0108270199006381 ]

1,4,7,10-Tetraoxacyclododecane-acetone thiosemicarbazone (1/2)

O. Moers, K. Wijaya, P. G. Jones and A. Blaschette

Formula: C8H16O42C4H9N3S

Acta Cryst. (1999). C55, 1545-1547    [ doi:10.1107/S010827019900685X ]


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

Formula: C31H32N4O4S2

Acta Cryst. (1999). C55, 1547-1555    [ doi:10.1107/S0108270199006162 ]

Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic D- and L-amino acids. III. The L-leucine and L-valine series

B. Dalhus and C. H. Görbitz

Formula: Seven 1:1 complexes of L- and D-amino acids

Acta Cryst. (1999). C55, 1556-1559    [ doi:10.1107/S0108270199006289 ]

Hydrogen bonding and C-H...O interactions in bis(8-dimethylamino-1-dimethylammonionaphthalene) [(DMANH+)2] 4,8-dicarboxynaphthalene-1,5-dicarboxylate dihydrate

L. J. Fitzgerald and R. E. Gerkin

Formula: 2C14H19N2+C14H6O82-2H2O

Acta Cryst. (1999). C55, 1560-1562    [ doi:10.1107/S0108270199006538 ]


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

Formula: C11H13IN4O3

Acta Cryst. (1999). C55, 1562-1565    [ doi:10.1107/S0108270199005880 ]

Azole. 42. Über Nitropiperidinoimidazolderivate

A. Gzella, U. Wrzeciono und W. Pöppel

Formula: C6H7ClN4O5 und C11H17ClN4O3

Acta Cryst. (1999). C55, 1565-1567    [ doi:10.1107/S0108270199006320 ]


K. Hensen, R. Mayr-Stein and M. Bolte

Formula: C9H7N

Acta Cryst. (1999). C55, 1568-1570    [ doi:10.1107/S0108270199006472 ]

N6,N6-Dimethyladenine-tetraiodoethene (2/1)

T. Dahl

Formula: C7H9N50.5C2I4

Acta Cryst. (1999). C55, 1570-1572    [ doi:10.1107/S0108270199006770 ]

Cholest-5-ene-3[beta],4[beta]-diyl diacetate

A. R. Kennedy, A. R. Pitt, C. J. Suckling, K. E. Suckling and M. Thomas

Formula: C31H50O4

Acta Cryst. (1999). C55, 1572-1573    [ doi:10.1107/S0108270199008033 ]

Triphenylselenonium iodide

H. Fleischer and D. Schollmeyer

Formula: C18H15Se+I-

Acta Cryst. (1999). C55, 1574-1575    [ doi:10.1107/S0108270199006976 ]

Cocrystallization of two conformers of (2S,3S,9S,10S)-2,3,9,10-tetraphenyl-1,4,8,11-tetraoxacyclotetradecane-6,13-dione

C. E. Song, Y. H. Kim, K. M. Kim, D. Y. Chi and J. H. Jeong

Formula: C34H32O6

Acta Cryst. (1999). C55, 1575-1577    [ doi:10.1107/S0108270199005260 ]

Methyl 1-(tert-butoxycarbonyl-L-alanyl-L-leucylamino)cyclooctane-1-carboxylate

S. Banumathi, D. Velmurugan, K. Ravikumar, S. Vijayalakshmi, R. Balaji Rao and P. Balaram

Formula: C24H33N3O6

Acta Cryst. (1999). C55, 1577-1579    [ doi:10.1107/S0108270199006964 ]


J. Zukerman-Schpector, R. L. Camillo, J. V. Comasseto, R. A. Santos and I. Caracelli

Formula: C14H10Cl4Te

Acta Cryst. (1999). C55, 1579-1581    [ doi:10.1107/S0108270199006575 ]


J. Xu and S. Jin

Formula: C28H23N3O

Acta Cryst. (1999). C55, 1581-1583    [ doi:10.1107/S0108270199006307 ]

Methyltriphenylphosphonium 2-methyl-1-sulfido-1,2-dicarba-closo-dodecaborane(12)

R. Kivekäs, R. Benakki, C. Viñas and R. Sillanpää

Formula: C19H18P+C3H13B10S-

Acta Cryst. (1999). C55, 1583-1585    [ doi:10.1107/S0108270199007672 ]

N,N'-Diphenylbenzamidinium nitrate

J. Barker, W. Errington and M. G. H. Wallbridge

Formula: C19H17N2+NO3-

Acta Cryst. (1999). C55, 1585-1587    [ doi:10.1107/S010827019900640X ]

1,3-Dimethylisoguanine trihydrate

M. T. doP. Gambardella, R. L. A. Dias, C. C. Chehade and R. G. deS. Berlinck

Formula: C7H9N5O3H2O

Acta Cryst. (1999). C55, 1587-1589    [ doi:10.1107/S0108270199006873 ]


F. D. Rochon and L. Breau

Formula: C20H29NO3S

Acta Cryst. (1999). C55, 1589-1591    [ doi:10.1107/S0108270199007246 ]

Propane-1,3-diammonium diperchlorate

S. Brooker and D. J. de Geest

Formula: C3H12N22+2ClO4-

Acta Cryst. (1999). C55, 1591-1593    [ doi:10.1107/S0108270199006782 ]

Tautomérie de la 4-(hydroxyphénylméthylène) isochroman-1,3 dione à l'état solide

R. Kakou-Yao, A. Saba, N. Ebby, M. Pierrot et J. P. Aycard

Formula: C16H10O4

Acta Cryst. (1999). C55, 1593-1595    [ doi:10.1107/S010827019900788X ]

Bis(1,3-dioxan-2-yl)arenes: precursors to linked porphyrins

P. G. Jene and J. A. Ibers

Formula: C24H30O4 and C14H18O4

Acta Cryst. (1999). C55, 1595-1598    [ doi:10.1107/S0108270199006101 ]

Absolute configuration of isocurcumenol

J. W. Bats and S. H. Öhlinger

Formula: C15H22O2 at 135 and 294 K

Acta Cryst. (1999). C55, 1598-1599    [ doi:10.1107/S0108270198016436 ]

The absolute configuration of an intermediate cyclic sulfoximine in the asymmetric synthesis of transition-state analog inhibitors of [bold gamma]-glutamylcysteine synthetase

N. Tokutake, J. Hiratake, T. Irie, A. Yamano and J. Oda

Formula: C9H16N2O4S

Acta Cryst. (1999). C55, 1600-1605    [ doi:10.1107/S0108270199007428 ]

(+)- and (±)-ketopinic acid: hydrogen-bonding patterns in a [beta]-keto acid in its enantiomeric and racemic forms and enantiomeric disordering in the racemate

R. A. Lalancette, M. L. Coté, W. J. Smith III, H. W. Thompson, P. A. Vanderhoff, A. P. J. Brunskill, C. Campana, I. Burshtein and J. P. Rose

Formula: (+)- and (+/-)-C10H14O3

Acta Cryst. (1999). C55, 1605-1607    [ doi:10.1107/S0108270199006253 ]

(2S,SR)-tert-Butyl 2-(p-tolylsulfinylacetyl)pyrrolidine-1-carboxylate

R. A. Toscano, A. Carrasco, B. Ortiz, R. Sánchez-Obregón, F. Walls and F. Yuste

Formula: C18H25NO4S

Acta Cryst. (1999). C55, 1607-1610    [ doi:10.1107/S0108270199007544 ]

Intermolecular N-H...N and C-H...O interactions from one-dimensional chains comprising the two independent molecues of N,N'-dicyclohexyl-N-nicotinoylurea

J. F. Gallagher, P. T. M. Kenny and M. J. Sheehy

Formula: C19H27N3O2

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