Acta Crystallographica Section C

Crystal Structure Communications

Volume 53, Part 10 (October 1997)

Cover illustration Cover illustration: 1:1 Molecular Complex Between Water and a Macrocyclic Crown Phosphonamide, see Declercq, Delangle, Dutasta, Van Oostenryck and Tinant, pages 1484-1486. Displacement ellipsoids are shown at the 50% probability level for non-H atoms.

cif-access (metal-organic compounds)

Acta Cryst. (1997). C53, IUC9700016    [ doi:10.1107/S0108270197099435 ]

Bis[2-(dimethylamino)pyridinium] Tetrachlorocobaltate(II)

J. M. Land, R. G. Baughman and C. A. Hester

Formula: (C7H11N2)2[CoCl4]

cif-access (organic compounds)

Acta Cryst. (1997). C53, IUC9700013    [ doi:10.1107/S0108270197099423 ]

Dimedone at 133K

M. Bolte and M. Scholtyssik

Formula: C8H12O2

Acta Cryst. (1997). C53, IUC9700014    [ doi:10.1107/S0108270197099411 ]


M. Bolte and S. Monz

Formula: C27H35NO5S

Acta Cryst. (1997). C53, IUC9700015    [ doi:10.1107/S010827019709940X ]

1,3-Bis(2,4,6-triphenylpyrimidin-5-yl)urea-Acetone (1/1) at 133K

M. Bolte

Formula: C45H32N6O.C3H6O

Acta Cryst. (1997). C53, IUC9700017    [ doi:10.1107/S0108270197099393 ]

Conformation of (S,S)-Methyl (2-Methyl-4-phenylbutanamido)(phenyl)acetate

Y. Inouye, T. Yabuuti and T. Kusumi

Formula: C20H23NO3

Acta Cryst. (1997). C53, IUC9700018    [ doi:10.1107/S0108270197099381 ]

Hydrogen Bond Network in Ethylenediammonium Bis(hydrogenmaleate)

J. C. Barnes and T. J. R. Weakley

Formula: C2H10N22+.2C4H3O4-

inorganic compounds

Acta Cryst. (1997). C53, 1367-1369    [ doi:10.1107/S0108270197005593 ]


H. Yamane, T. Nagasawa, M. Shimada and T. Endo

Synopsis: Ca3Y2(SiO4)3 is isostructural with silico-carnotite, Ca5(PO4)2SiO4. The structure contains isolated SiO4 tetrahedra. The three large cation sites are occupied by both Ca and Y in specific ratios.

Formula: Ca3Y2(SiO4)3

Acta Cryst. (1997). C53, 1369-1371    [ doi:10.1107/S0108270197006318 ]


M. Helliwell and J. V. Smith

Synopsis: A new determination of the structure of brochantite using a single crystal shows that pairs of Cu atoms are bonded to form almost linear chains bridged by O atoms. The Cu atoms have distorted octahedral coordination to hydroxyl or sulfate O atoms.

Formula: Cu4SO4(OH)6

Acta Cryst. (1997). C53, 1371-1373    [ doi:10.1107/S0108270197005751 ]

A Reinvestigation of Cu3Mo2O9, a Compound Containing Copper(II) in Compressed Octahedral Coordination

U. Steiner and W. Reichelt

Synopsis: The structure of Cu3Mo2O9 consists of strings of corner-sharing CuO6 octahedra linked to CuO5 square pyramids and MoO4 tetrahedra by edges and corners, respectively. The structure contains the Jahn-Teller active ion Cu2+ in unusual compressed octahedral coordination.

Formula: Cu3Mo2O9

metal-organic compounds

Acta Cryst. (1997). C53, 1374-1376    [ doi:10.1107/S010827019700601X ]

The Layered Methylammonium Molybdate (NH3CH3)2[Mo7O22] from X-ray Powder Data

P. Y. Zavalij and M. S. Whittingham

Synopsis: Rietveld refinement of a new layered molybdate from the [MonO3n+1]2- series, (NH3CH3)2[Mo7O22], showed that the molybdenum coordination polyhedra are significantly distorted octahedra. The methylammonium cations are incorporated between the layers.

Formula: (NH3CH3)2[Mo7O22]

Acta Cryst. (1997). C53, 1376-1378    [ doi:10.1107/S0108270197006094 ]

Potassium Diaqua(ethylenediaminetetraacetato)ytterbate(III) Pentahydrate

N. Sakagami, J.-I. Homma, T. Konno and K.-I. Okamoto

Formula: K[Yb(C10H12N2O8)(H2O)2].5H2O

Acta Cryst. (1997). C53, 1378-1381    [ doi:10.1107/S0108270197006021 ]

Tetracaesium Bis(diethylenetriamine-N,N,N',N'',N''-pentacetato)didysprosate(III) Tridecahydrate

N. Sakagami, J.-I. Homma, T. Konno and K.-I. Okamoto

Formula: Cs4[Dy2(C14H18N3O10)2].13H2O

Acta Cryst. (1997). C53, 1381-1383    [ doi:10.1107/S010827019700749X ]

Tetrakis(ethylenediamine)yttrium(III) Hydrosulfide Iodide

C. George and A. P. Purdy

Formula: [Y(C2H8N2)4](SH)2.72I0.28

Acta Cryst. (1997). C53, 1383-1384    [ doi:10.1107/S010827019700718X ]

(2S)-(+)-Dicarbonyl([bold eta]4-2,6,6-trimethylcyclohepta-2,4-dienone)(triphenylphosphine-P)iron

T. Petrowitsch, R. Grosser, M. Schürmann, H. Preut and P. Eilbracht

Formula: [Fe(C10H14O)(C18H15P)(CO)2]

Acta Cryst. (1997). C53, 1385-1387    [ doi:10.1107/S0108270197004459 ]

A cis-Octahedral Dichloro Complex of FeIII with a Tetradentate Dipyridyl-Diamino Ligand

N. W. Alcock, E. V. Rybak-Akimova and D. H. Busch

Formula: [FeCl2(C15H20N4)]ClO4

Acta Cryst. (1997). C53, 1387-1388    [ doi:10.1107/S0108270197008482 ]

catena-Poly[[(1,4-dioxane-O1)iodolithium]-[bold mu]-(1,4-dioxane-O1:O4)]

C. Eaborn, A. Farook, P. B. Hitchcock and J. D. Smith

Formula: [LiI(C4H8O2)2]

Acta Cryst. (1997). C53, 1388-1390    [ doi:10.1107/S0108270197008378 ]

Aquatetrachlorotris(tetrahydrofuran-O)thorium(IV) Tetrahydrofuran Solvate (1/1)

M. P. Spry, W. Errington and G. R. Willey

Formula: [ThCl4(C4H8O)3(H2O)].C4H8O

Acta Cryst. (1997). C53, 1391-1393    [ doi:10.1107/S0108270197007129 ]


M. James, H. Kawaguchi and K. Tatsumi

Formula: [MoBr3(C3H3NS)3]

Acta Cryst. (1997). C53, 1393-1396    [ doi:10.1107/S0108270197007920 ]

[(Mg0.5,Mn0.5)4{[bold mu]3,[bold eta]2-OCH2CH(CH2)3O}4(EtOH)4Cl4].0.5EtOH

L. B. Jerzykiewicz, J. Utko and P. Sobota

Formula: [(Mg0.5,Mn0.5)4Cl4(C2H6O)4(C5H9O2)4].0.5C2H6O

Acta Cryst. (1997). C53, 1396-1400    [ doi:10.1107/S0108270197006690 ]

Silver Acetate-Triphenylphosphine Complexes. Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate

S. W. Ng and A. H. Othman

Formula: [Ag(C2H3O2)(C18H15P)2], [Ag(C2H3O2)(C18H15P)2].1.5H2O, [Ag2(C2H3O2)2(C18H15P)2].H2O and [Ag2(C2H3O2)2(C18H15P)2].0.5H2O

Acta Cryst. (1997). C53, 1401-1403    [ doi:10.1107/S0108270197007452 ]


C. Manzur, D. Carrillo and D. Boys

Formula: [MoCl(C9H10BN6)(C12H10N2)2]

Acta Cryst. (1997). C53, 1403-1405    [ doi:10.1107/S0108270197007439 ]


D. Lamprecht, G. J. Lamprecht, J. M. Botha, K. Umakoshi and Y. Sasaki

Formula: [Rh(C15H11O2)(C18H15P)(CO)]

Acta Cryst. (1997). C53, 1405-1407    [ doi:10.1107/S0108270197006082 ]

trans-[Bis-2,6-(2-benzimidazolyl-[bold kappa]N2)pyridine-[bold kappa]N]nitrobis(triphenylphosphine-P)ruthenium(II) Perchlorate Ethanol Solvate

J. W. Lim, H. J. Yeo and J. H. Jeong

Formula: [Ru(NO2)(C19H13N5)(C18H15P)2]ClO4.C2H6O

Acta Cryst. (1997). C53, 1407-1409    [ doi:10.1107/S0108270197008512 ]

Bis(piperidinium) Tetrachloromercurate

R. Spengler, F. Zouari, A. Ben Salah and H. Burzlaff

Formula: (C5H12N)2[HgCl4]

Acta Cryst. (1997). C53, 1409-1411    [ doi:10.1107/S010827019700632X ]

Monodentate Ligation of Tetracyanonickelate(II): (2-Aminoethanol)[N-(2-aminoethyl)-1,2-ethanediamine][tetracyanonickelato(II)]copper(II)-Water (1/2)

H. Kurihara, S.-I. Nishikiori and T. Iwamoto

Formula: [CuNi(CN)4(C4H13N3)(C2H7NO)].2H2O

Acta Cryst. (1997). C53, 1411-1414    [ doi:10.1107/S0108270197007002 ]

trans-[2,6-Diacetylpyridine bis(thiosemicarbazone)(1-)]diphenyltin(IV) Chloride

P. C. Moreno, R. H. P. Francisco, M. T. doP. Gambardella, G. F. de Sousa and A. Abras

Formula: [Sn(C6H5)2(C11H14N7S2)]Cl

Acta Cryst. (1997). C53, 1414-1416    [ doi:10.1107/S0108270197008044 ]

trans-Dichlorobis(ferrocenyldiphenylphosphine-P)platinum(II)-Benzene (1/2)

S. Otto and A. Roodt

Formula: [PtCl2(C22H19FeP)2].2C6H6

Acta Cryst. (1997). C53, 1416-1420    [ doi:10.1107/S0108270197006781 ]

endo and exo Isomers of Isodicyclopentadienyltrichlorotitanium

J. C. Gallucci, N. Kozmina, L. A. Paquette, F. Zaegel, P. Meunier and B. Gautheron

Formula: Two isomers of [TiCl3(C10H11)]

Acta Cryst. (1997). C53, 1420-1422    [ doi:10.1107/S010827019700615X ]

Bis(nicotinamide-N)bis(salicylato-O,O')copper(II), the Monoclinic Form

I. Leban, B. Kozlevcar, J. Sieler and P. Segedin

Formula: [Cu(C7H5O3)2(C6H6N2O)2]

Acta Cryst. (1997). C53, 1422-1424    [ doi:10.1107/S010827019700838X ]

Diaquabis(dimethyl 3-oxopentanedioato-O1,O3)zinc(II)

J. Fawcett, R. D. W. Kemmitt, D. R. Russell and K. Singh

Formula: [Zn(C7H9O5)2(H2O)2]

organic compounds

Acta Cryst. (1997). C53, 1425-1427    [ doi:10.1107/S0108270197008299 ]

1,4-Dimethoxy-2-naphthoic Acid

A. C. Blackburn and R. E. Gerkin

Formula: C13H12O4

Acta Cryst. (1997). C53, 1427-1429    [ doi:10.1107/S0108270197008226 ]

2-Aminonicotinic Acid

A. J. Dobson and R. E. Gerkin

Formula: C6H6N2O2

Acta Cryst. (1997). C53, 1429-1432    [ doi:10.1107/S010827019700704X ]

Polysulfonylamines. LXXXVII. Bis(benzenesulfonamido) Sulfone-Dichloromethane (1/0.5)

O. Hiemisch, D. Henschel, A. Blaschette and P. G. Jones

Formula: C12H12N2O6S3.0.5CH2Cl2

Acta Cryst. (1997). C53, 1432-1434    [ doi:10.1107/S0108270197007580 ]

5-Iodo-2-[iodo(5-iodo-1,3,3-trimethyl-2-indolinylidene)methyl]-1,3,3-trimethyl-3H-indolium Perchlorate: a Highly Overcrowded Cyanine Dye

H.-H. Johannes, W. Grahn, I. Dix and P. G. Jones

Formula: C23H24I3N2+.ClO4-

Acta Cryst. (1997). C53, 1434-1436    [ doi:10.1107/S0108270197007610 ]


H.-H. Pröhl, A. Blaschette and P. G. Jones

Formula: C12H19NO

Acta Cryst. (1997). C53, 1436-1438    [ doi:10.1107/S0108270197007336 ]


A. Azim, V. S. Parmar and W. Errington

Formula: C15H13NO3S

Acta Cryst. (1997). C53, 1438-1440    [ doi:10.1107/S0108270197006677 ]


N. K. Sharma, R. Kumar, V. S. Parmar and W. Errington

Formula: C18H18O3

Acta Cryst. (1997). C53, 1440-1442    [ doi:10.1107/S0108270197007567 ]


H. N. Pati, V. S. Parmar and W. Errington

Formula: C17H16O4

Acta Cryst. (1997). C53, 1442-1444    [ doi:10.1107/S0108270197007294 ]


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

Formula: C14H11NO3S

Acta Cryst. (1997). C53, 1444-1445    [ doi:10.1107/S0108270197008470 ]

The Novel Fragrance 2-Isobutyl-4-oxo-5,5-dimethyltetrahydropyran as its 2,4-Dinitrophenylhydrazone Derivative

A. L. Lane, K. J. Rossiter, C. S. Sell and D. J. Watkin

Formula: C17H24N4O5

Acta Cryst. (1997). C53, 1445-1447    [ doi:10.1107/S0108270197003764 ]

A trans-1,2-Diarylhexafluorocyclobutane

D. C. Swenson, M. Yamamoto and D. J. Burton

Formula: C44H24F6N2O6.C4H10O

Acta Cryst. (1997). C53, 1447-1449    [ doi:10.1107/S0108270197003776 ]

Tubingensin B, a Cytotoxic Carbazole Alkaloid from the Sclerotia of Aspergillus tubingensis

D. C. Swenson, M. R. TePaske, N. C. Baenziger and J. B. Gloer

Formula: C28H35NO.0.5CHCl3

Acta Cryst. (1997). C53, 1449-1450    [ doi:10.1107/S0108270197006525 ]

Phenylpyruvic Acid

N. Okabe and C. Inubushi

Formula: C9H8O3

Acta Cryst. (1997). C53, 1451-1452    [ doi:10.1107/S0108270197006045 ]

Tris(3-chlorophenyl)phosphine Oxide

O. bin Shawkataly, K. Ramalingam, S. Selvakumar, H.-K. Fun and A. R. Ibrahim

Formula: C18H12Cl3OP

Acta Cryst. (1997). C53, 1452-1454    [ doi:10.1107/S0108270197008135 ]

p-Nitrobenzaldehyde Isonicotinoylhydrazone

H.-K. Fun, Z.-L. Lu, C.-Y. Duan, Y.-P. Tian, X.-Z. You, Y.-M. Guo and X.-Y. Gong

Formula: C13H10N4O3

Acta Cryst. (1997). C53, 1454-1455    [ doi:10.1107/S0108270197008147 ]

p-(Dimethylamino)benzaldehyde Benzoylhydrazone Monohydrate

H.-K. Fun, Z.-L. Lu, C.-Y. Duan, Y.-P. Tian, X.-Z. You, X.-Y. Gong and Y.-M. Guo

Formula: C16H17N3O.H2O

Acta Cryst. (1997). C53, 1455-1457    [ doi:10.1107/S0108270197005969 ]

The Chelating Agent N,N,N',N'',N''',N'''-Triethylenetetraminehexacetic Acid (TTHA)

D. C. Finnen and A. A. Pinkerton

Formula: C18H30N4O12

Acta Cryst. (1997). C53, 1458-1459    [ doi:10.1107/S0108270197006148 ]

An Enantiomerically Pure Schiff Base Ligand

A. S. Abu-Surrah, T. V. Laine, T. Repo, R. Fawzi, M. Steimann and B. Rieger

Formula: C26H24N4

Acta Cryst. (1997). C53, 1459-1462    [ doi:10.1107/S0108270197006495 ]

2,4,6,8-Tetraazabicyclo[3.3.1]nonane-3,7-dione and 2,4,6,8-Tetraacetyl-2,4,6,8-tetraazabicyclo[3.3.1]nonane-3,7-dione

G. Piacenza, C. Beguet, E. Wimmer, R. Gallo and M. Giorgi

Formula: C5H8N4O2 and C13H16N4O6

Acta Cryst. (1997). C53, 1462-1464    [ doi:10.1107/S0108270197006252 ]

Dimethyl 2-Iodobenzoylphosphonate, an Unusual Example of a Crystalline [alpha]-Ketophosphonate

D. V. Griffiths, J. E. Harris and J. R. Miller

Formula: C9H10IO4P

Acta Cryst. (1997). C53, 1464-1466    [ doi:10.1107/S0108270197007166 ]

2-(3-Nitrophenyl)-1,3-dioxolane at 150K

M. Bolte, R. Marx and M. Scholtyssik

Formula: C9H9NO4

Acta Cryst. (1997). C53, 1466-1468    [ doi:10.1107/S0108270197005064 ]


M. Ertan, A. Yesilada, B. Tozkoparan, Ç Tarimci, B. Krebs and M. Läge

Formula: C22H33NO3

Acta Cryst. (1997). C53, 1468-1471    [ doi:10.1107/S0108270197002953 ]

Three trans-2,6-Diaryl Derivatives of Oximes of N-Hydroxy-4-piperidone

E. Díaz, H. Barrios and R. A. Toscano

Formula: C17H18N2O2, C15H20N4O2 and C13H14N2O2S2

Acta Cryst. (1997). C53, 1471-1472    [ doi:10.1107/S0108270197006100 ]

9a-Trimethylsilyloctahydroquinolizinium Picrate

J. M. White and W.-Y. Tham

Formula: C12H26NSi+.C6H2N3O7-

Acta Cryst. (1997). C53, 1472-1475    [ doi:10.1107/S0108270197008457 ]

A Putrescine Triamide from Lilium regale

A. Linden, P. Kuehne and M. Hesse

Formula: C18H22N2O4

Acta Cryst. (1997). C53, 1475-1478    [ doi:10.1107/S0108270197006343 ]

Photoproducts Derived from 9-Substituted Dibenzobarrelenes

M. Muneer, N. P. Rath and M. V. George

Formula: Two isomers of C31H22O3

Acta Cryst. (1997). C53, 1478-1482    [ doi:10.1107/S0108270197006975 ]

Tyrosinium-D-tetrahydroisoquinoline-3-carboxylate 1.5-Hydrate and Tyrosyl-D-tetrahydroisoquinoline-3-carboxamide Hydrate

J. R. Deschamps, J. L. Flippen-Anderson, C. Moore, R. Cudney and C. George

Formula: C19H20N2O4.1.5H2O and C19H21N3O3.H2O

Acta Cryst. (1997). C53, 1482-1483    [ doi:10.1107/S0108270197005222 ]

Intermediates in the Synthesis of Daphniphyllum Alkaloids. I. A Tetracyclic Oxygen Analogue

J. Zukerman-Schpector, E. E. Castellano, M. A. Ceschi, T. J. Brocksom and J. L. Wikaira

Formula: C20H25BrO4

Acta Cryst. (1997). C53, 1484-1486    [ doi:10.1107/S0108270197006604 ]

1:1 Molecular Complex Between Water and a Macrocyclic Crown Phosphonamide

J.-P. Declercq, P. Delangle, J.-P. Dutasta, L. Van Oostenryck and B. Tinant

Formula: C21H29N2O4PS.H2O

Acta Cryst. (1997). C53, 1486-1488    [ doi:10.1107/S0108270197006926 ]

Out-of-Plane Orientation of the Carbamoyl Group in an NAD Model Compound: Preferred 1,3-Diaxial Methyl Configuration

Y. Mikata

Formula: C14H21N2O+.I-

Acta Cryst. (1997). C53, 1488-1490    [ doi:10.1107/S0108270197002461 ]

A Nitroxide Tetraradical Exhibiting Ferromagnetic Coupling

K. Griesar, W. Haase, I. Svoboda and H. Fuess

Formula: C46H70N4O12

Acta Cryst. (1997). C53, 1490-1493    [ doi:10.1107/S0108270197005635 ]

Unique trans-syn-cis [6.6.7] Tricycle Derivative from Transannular Diels-Alder Contraction of a Model 15-Membered trans-cis-cis Macrocyclic Triene

M. Drouin, D. G. Hall, A.-S. Caillé and P. Deslongchamps

Formula: C24H32O9 and 3C31H37BrO10.0.76C2H6O

Acta Cryst. (1997). C53, 1493-1495    [ doi:10.1107/S010827019700557X ]

Methyl 12-Acetyl-9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[,7]trideca-2,4,6-triene-13-carboxylate

V. Kettmann and J. Svetlík

Formula: C15H16N2O4S

Acta Cryst. (1997). C53, 1495-1497    [ doi:10.1107/S0108270197007725 ]

The Cone Conformer of a Tetrakis(methylthio)tetrapropoxycalix[4]arene

T. M. Schultz, R. G. Hazell and M. Larsen

Formula: C44H56O4S4

Acta Cryst. (1997). C53, 1497-1499    [ doi:10.1107/S0108270197007531 ]

A Benzannulated [5.3.1] Propellanone Related to the ABC Ring System of TaxolTM

M. F. Mackay, M. G. Banwell and J. R. Phyland

Formula: C16H16Br2O2

Acta Cryst. (1997). C53, 1499-1501    [ doi:10.1107/S0108270197005970 ]

4,4'-Azinodimethyldipyridinium Diperchlorate, C12H12N42+.2ClO4-

W. Chen, C.-M. Liu, D.-G. Li and X.-Z. You

Formula: C12H12N42+.2ClO4-

Acta Cryst. (1997). C53, 1501-1502    [ doi:10.1107/S0108270197006616 ]


R. N. Warrener, L. Maksimovic and C. H. L. Kennard

Formula: C13H11Br2NO4

Acta Cryst. (1997). C53, 1502-1505    [ doi:10.1107/S0108270197007476 ]

(1R,2R)-4-Methylurazole-[alpha]-D-pyranosyl-2-deoxyriboside from Reaction of 4-Methylurazole with 2-Deoxy-D-ribose

C. Y. Meyers, Y. Hou, V. M. Kolb and P. D. Robinson

Formula: C8H13N3O5

Acta Cryst. (1997). C53, 1505-1508    [ doi:10.1107/S0108270197006112 ]

Quininium (S)-Mandelate

A. B. Gjerløv and S. Larsen

Formula: C20H25N2O2+.C8H7O3-

Acta Cryst. (1997). C53, 1508-1510    [ doi:10.1107/S0108270197006057 ]


O. Abrahão-Junior, M. T. doP. Gambardella, S. G. Ruggiero, T. M. Sacramento, G. M. Stefani and D. Pilo-Veloso

Formula: C20H26O4

Acta Cryst. (1997). C53, 1510-1512    [ doi:10.1107/S0108270197009244 ]

Relative and Absolute Configuration of Aloperine

A. D. Brosius, J. W. Ziller and Q. Zhang

Formula: C15H24N2 and C15H26N22+.2Cl-.H2O

Acta Cryst. (1997). C53, 1512-1514    [ doi:10.1107/S0108270197006987 ]


K. Gunasekaran, D. Velmurugan and P. Murugan

Formula: C25H31NO2

Acta Cryst. (1997). C53, 1514-1516    [ doi:10.1107/S010827019700735X ]

2H-1-Benzopyrans. II. 4-Chloro-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran, (I), and 4-Chloro-2-dimethoxyphosphoryl-2H-1-benzopyran, (II)

T. A. Olszak, M. J. Grabowski, A. Stepien, R. Modranka and K. Kostka

Formula: C13H14ClO6P and C11H12ClO4P

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