Acta Crystallographica Section C

Crystal Structure Communications

Volume 51, Part 2 (February 1995)

Cover illustration: 2'-carbamate taxol, see Gao & Golik, pages 295--298. The displacement ellipsoids are shown at the 50% probability level.

• inorganic compounds
• metal-organic compounds
• organic compounds
• addenda and errata

inorganic compounds

 

Hydroxylammonium Scandium Sulfate Sesquihydrate, Sc(NH₃OH)(SO₄)₂.1.5H₂O

A. Mirceva and L. Golic

Synopsis: The structure consists of chains of octahedrally and tetrahedrally arranged O atoms around Sc and S atoms, respectively. These chains are hydrogen bonded by the hydroxylammonium ions and the water molecules.

Formula: Sc(NH₃OH)(SO₄)₂.1.5H₂O

 

FeAl₃Si₂

C. Gueneau, C. Servant, F. d'Yvoire and N. Rodier

Synopsis: FeAl₃Si₂ is isotypic with PdGa₅, but presents a superstructure (space group Pbcn). The structure may be described by the idealized formula FeAl(1)Al(2)₂Si₂, in which Fe and Al(1) are tenfold and Al(2) and Si are ninefold coordinated.

Formula: FeAl_2.7Si_2.3

 

KAlAs₂O₇

H. Boughzala and T. Jouini

Synopsis: KAlAs₂O₇ is isotypic with RbAlAs₂O₇. The structure consists of a covalent framework built up from corner-sharing AsO₄ tetrahedra and AlO₆ octahedra, and containing intersecting tunnels within which the K⁺ ions are located.

Formula: KAlAs₂O₇

 

Lithium Berylloarsenate Hydrate, LiBeAsO₄.H₂O

W. T. A. Harrison, T. E. Gier and G. D. Stucky

Synopsis: LiBeAsO₄.H₂O is isostructural with other LiABO₄.H₂O Li-A-type molecular sieves. Geometrical parameters, derived from X-ray powder data, are typical for the ordered, alternating BeO₄ and AsO₄ groups in this phase.

Formula: LiBeAsO₄.H₂O

 

Strontium Dibromide Hexahydrate

I. Abrahams and E. Vordemvenne

Synopsis: In SrBr₂.6H₂O, Sr has tricapped trigonal prismatic coordination geometry involving six bridging and three terminal water molecules, resulting in a linear polymeric cation of general formula [Sr(H₂O)₆]_n²ⁿ⁺ with charges balanced by Br^- ions.

Formula: SrBr₂.6H₂O

metal-organic compounds

 

Sodium Chloranilate Trihydrate

R. Benchekroun and J.-M. Savariault

Formula: 2Na⁺.C₆Cl₂O₄^2-.3H₂O

 

Cs[CB₁₀H₁₃] at 293 K

C. R. Whitaker, A. Romerosa, F. Teixidor and J. Rius

Formula: Cs[CB₁₀H₁₃]

 

Bis(hexadecylpyridinium) Bis(3,6-dichloro-4,5-dihydroxy-3,5-cyclohexadiene-1,2-dionato-²O⁴,O⁵)beryllium

H. Burzlaff, J. Lange, R. Spengler, M. I. Karayannis and P. G. Veltsistas

Formula: 2C₂₁H₃₈N[Be(C₆Cl₂O₄)₂]

 

(⁵-Cyclopentadienyl)[2-(1,1-diphenylethyl-C²)phenyl-C¹]oxo(trimethylsilylmethylthio)tungsten, [WO(C₄H₁₁SSi)(C₅H₅)(C₂₀H₁₆)]

N. Brunet, P. Legzdins, J. Trotter and V. C. Yee

Formula: [WO(C₄H₁₁SSi)(C₅H₅)(C₂₀H₁₆)]

 

(Tetraphenylporphyrinato)zirconium(IV) Diacetate

J. L. Huhmann, J. Y. Corey and N. P. Rath

Formula: [Zr(C₂H₃O₂)₂(C₄₄H₂₈N₄)].CH₂Cl₂

 

Tetraphenylphosphonium cis-Tetrabromobis(pyridine)molybdate(III)

J. V. Brencic, B. Modec and Z. Yao

Formula: (C₂₄H₂₀P)[MoBr₄(C₅H₅N)₂]

 

2,2-Bis[(diphenylphosphino)methyl]-1-phenyl-thiopropane-P,P',S}tricarbonyltungsten(0)

H.-E. Wang, M.-C. Cheng, S.-M. Peng and S.-T. Liu

Formula: [W(CO)₃(C₃₅H₃₄P₂S)]

 

[ReCl₃(C₈H₁₁P)₂(C₇H₁₁N)₂].C₆H₄Cl₂

N. Masciocchi, M. Moret, G. A. Ardizzoia and G. La Monica

Formula: [ReCl₃(C₈H₁₁P)₂(C₇H₁₁N)₂].C₆H₄Cl₂

 

[3,10-Diethyl-5,8-diazadodecane-3,10-dithiolato-(3-)-N,N',S,S']oxorhenium(IV) Chloroform Solvate

T. W. Hambley, R. K. Knott, T. W. Jackson, M. Kojima and R. M. Lambrecht

Formula: [Re(C₁₄H₂₉N₂S₂)O].CHCl₃

 

trans-[Co(salen)(py)₂][BPh₄]

X.-H. Shi, X.-Z. You, C. Li, B.-L. Song, T.-H. Li and X.-Y. Huang

Formula: [Co(C₁₆H₁₄N₂O₂)(C₅H₅N)₂]C₂₄H₂₀B

 

trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) Crystals With and Without Stacking Faults

R. J. Cross, A. R. Kennedy and K. W. Muir

Formula: [PdBr(C₇H₇)(C₁₈H₁₅P)₂]

 

Bis(dimethylglyoximato)(phenylacetylido)(triphenylphosphine)rhodium(III) Dichloromethane, [Rh(C₄H₇N₂O₂)₂(C₈H₅)(C₁₈H₁₅P)].CH₂Cl₂

M. Dunaj-Jurco, V. Kettmann, D. Steinborn and M. Ludwig

Formula: [Rh(C₄H₇N₂O₂)₂(C₈H₅)(C₁₈H₁₅P)].CH₂Cl₂

 

L'hydrogénocarbonate de Bis(N,N-diméthylbiguanide) Cuivre(II), [Cu(C₄H₁₁N₅)₂]2HCO₃

B. Viossat, A. Tomas et N.-H. Dung

Formula: [Cu(C₄H₁₁N₅)₂]2HCO₃

 

(Nitrito-O,O')bis(triphenylphosphine)copper(I), (PPh₃)₂Cu(NO₂-O,O')

J. A. Halfen and W. B. Tolman

Formula: [Cu(NO₂)(C₁₈H₁₅P)₂]

 

Bis(diphenylphosphino)methanetetradecacarbonylhexairidium Dichloromethane Solvate

M. Mazzanti, R. Roulet and K. J. Schenk

Formula: [Ir₆(CO)₁₄(C₂₅H₂₂P₂)].CH₂Cl₂

 

Tetraethylammonium Tetramethylammonium Tetrachlorozincate(II), [(C₂H₅)₄N][(CH₃)₄N]ZnCl₄

O. Caëtano, J. Lapasset and P. Saint Grégoire

Formula: [(C₂H₅)₄N][(CH₃)₄N][ZnCl₄]

 

A Zinc(II) Complex of Creatinine

N. Okabe, Y. Kohyama and K. Ikeda

Formula: [ZnCl₂(C₄H₇N₃O)₂]

 

Dichlorobis(creatinine)cadmium(II)

N. Okabe, K. Ikeda, Y. Kohyama and Y. Sasaki

Formula: [CdCl₂(C₄H₇N₃O)₂]

 

Anhydrous 2,3,5,6-Tetramethylpyrazinium Tetraiodocadmate(II) and its Trihydrate, [C₈H₁₂N₂(H)₂][CdI₄].xH₂O (x = 0, 3)

R. D. Bailey and W. T. Pennington

Formula: (C₈H₁₄N₂)[CdI₄] and (C₈H₁₄N₂)[CdI₄].3H₂O

 

Two Forms of (5,5-Dimethyl-4,7-diazadecane-1,10-diamine)nickel(II) Diperchlorate

T. H. Tahirov, T.-H. Lu, K. Shu and C.-S. Chung

Formula: Two forms of [Ni(C₁₀H₂₆N₄)](ClO₄)₂

 

trans-Di--chloro-bis[chloro(tributylphosphine)palladium]

P. A. Chaloner, S. Z. Dewa and P. B. Hitchcock

Formula: [Pd₂Cl₄(C₁₂H₂₇P)₂]

 

The Polymeric Structure of Aquacadmium Bisnicotinate

W. Clegg, J. T. Cressey, A. McCamley and B. P. Straughan

Formula: [Cd(C₆H₄NO₂)₂(H₂O)]

 

Tris(4-tert-butylphenyl)chlorotin(IV)

I. Wharf, M. G. Simard and K. McGinn

Formula: [Sn(C₁₀H₁₃)₃Cl]

 

A Dinitrato(diphenylphenanthroline)palladium(II) Complex

K. W. Törnroos

Formula: [Pd(NO₃)₂(C₂₄H₁₆N₂)].C₂H₆OS

 

Hexakis(2-chloroethylammonium) Hexachloroplumbate(II) Chloride

M. Geselle and H. Fuess

Formula: 6(C₂H₇ClN)[PbCl₆]2Cl

 

Bis(L-prolinato-N,O)zinc(II)

C.-H. Ng, H.-K. Fun, S.-B. Teo, S.-G. Teoh and K. Chinnakali

Formula: [Zn(C₅H₇NO₂)₂]

organic compounds

 

Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane

D. Adam, P. H. McCabe, G. A. Sim and A. Bouchemma

Formula: Two isomers of C₂₄H₂₇N₃O₃

 

Non-Sinusoidal Structure of the 1:1 Complex of Phenothiazine and 7,7,8,8-Tetracyanoquinodimethane

L. Toupet and N. Karl

Formula: C₁₂H₉NS.C₁₂H₄N₄

 

cis-6-Methoxycarbonyl-2,10-dioxa-1-phosphabicyclo[4.4.0]decane 1-Oxide

T. M. Lane, O. P. Rodriguez, A. G. Sommese, S. E. Cremer and D. W. Bennett

Formula: C₉H₁₅O₅P

 

(S)-1-Phenylethylammonium (S)-Mandelate-Mandelic Acid (1/2), C₈H₁₂N⁺.C₈H₇O₃^-.2C₈H₈O₃

H. Lopez de Diego

Formula: C₈H₁₂N⁺.C₈H₇O₃^-.2C₈H₈O₃

 

Three Polychloromononitrobenzenes: C₆H₃Cl₂NO₂, C₆H₂Cl₃NO₂ and C₆HCl₄NO₂

A. Bhar, J. P. Aune, N. Benali-Cherif, L. Benmenni and M. Giorgi

Formula: C₆H₃Cl₂NO₂, C₆H₂Cl₃NO₂ and C₆HCl₄NO₂

 

1,5-Di-tert-butyl-2,4-dinitrobenzene, C₁₄H₂₀N₂O₄

M. Numan, H. Schenk and D. Döpp

Formula: C₁₄H₂₀N₂O₄

 

Novel N-Acyl -Azidopyrrolidines (N-Acyliminium-Ion Precursors)

V. M. Lynch, C. Hulme, P. Magnus and B. E. Davis

Formula: C₁₇H₁₇N₅O and C₁₄H₁₇N₇O₄

 

4,6-Dimethyl-2-(4-nitrobenzylidene)-3(2H)-benzofuranone

B. S. Goud, K. Panneerselvam, D. E. Zacharias and G. R. Desiraju

Formula: C₁₇H₁₃NO₄

 

9(10H)-Acridone

G. D. Potts and W. Jones

Formula: C₁₃H₉NO

 

(1,5,6)-10,10-(1,2-Ethylenedioxy)-1,5-dimethylbicyclo[4.4.0]decan-4-one

K. Park, D. C. Swenson, W. J. Scott and D. F. Wiemer

Formula: C₁₄H₂₂O₃

 

Oxime of 1-Methyl-3-trifluoroacetylpyrrolidin-2-one

B. Tinant, J.-P. Declercq and J.-P. Bouillon

Formula: C₇H₉F₃N₂O₂

 

Aversin

S. Chan and J. Trotter

Formula: C₂₀H₁₆O₇

 

Hexaethyl (3,5-Di-tert-butyl-4-hydroxyphenyl)methanetrisphosphonate at 173 K

M. Ramm, B. Costisella and H. Gross

Formula: C₂₇H₅₁O₁₀P₃

 

(E,E)-4-[3-(3,5-Dichloro-2-hydroxyphenylazo)-2-morpholino-2-butenoyl]morpholine

M. Ramm, H. Baumann and K. Kirschke

Formula: C₁₈H₂₂Cl₂N₄O₄

 

cis-5-Methyl-4-phenyl-3-(4-toluenesulfonyl)-1,3-oxazin-2-one

E. M. Campi, G. D. Fallon, A. Holmes, P. Perlmutter and C. C. Teo

Formula: C₁₈H₁₉NO₄S

 

(±)-[6(H)]-7,7,9-Trimethyl-cis-tricyclo[6.3.1.0^1,6]dodecan-2-one

M. Mukherjee, A. K. Mukherjee, S. Das, D. Mukherjee and M. Helliwell

Formula: C₁₅H₂₄O

 

Quitenine Ethyl Ester

K. Lewinski, W. Nitek, B. J. Oleksyn and B. Stec

Formula: C₂₁H₂₆N₂O₄

 

3-(4-Pyridyl)-5,6,7,8-tetrahydro-9H-1,2,4-triazolo[4,3-a][1,3]diazepine Monohydrate

M. L. Glówka

Formula: C₁₁H₁₃N₅.H₂O

 

trans-3-Hydroxy-N-methyl-L-proline Hydrochloride

G. P. Jones, L. G. Paleg, Y. Waisel, A. Solomon, S. Beer and E. R. T. Tiekink

Formula: C₆H₁₂NO₃⁺.Cl^-

 

N--L-Glutamyl--cyano-L-alanine, an Antinutritional Factor ex Vicia sativa L., as its Ammonium Salt

I. M. Delaere, M. E. Tate, G. P. Jones and E. R. T. Tiekink

Formula: NH₄⁺.C₉H₁₂N₃O₅^-

 

Benzophenone O-(2,3,5,6-Tetrafluoro-4-pyridyl)oxime, Formed by 4-Substitution of Pentafluoropyridine by Benzophenone Oximate

R. E. Banks, W. J. Jondi, R. G. Pritchard and A. E. Tipping

Formula: C₁₈H₁₀F₄N₂O

 

(E)-Acetophenone O-(3,4,5,6-Tetrafluoro-2-pyridyl)oxime, Formed by 2-Substitution of Pentafluoropyridine by (E)-Acetophenone Oximate

R. E. Banks, W. J. Jondi, R. G. Pritchard and A. E. Tipping

Formula: C₁₃H₈F₄N₂O

 

2'-Carbamate Taxol

Q. Gao and J. Golik

Formula: C₄₈H₅₂N₂O₁₅

 

2-Methyl-2H-1,2-benzisoselenazol-3-one

M. Piatek, B. Oleksyn and J. Sliwinski

Formula: C₈H₇NOSe

 

5-Fluoro-1-indanone and 2,2-Dimethyl-5-fluoro-1-indanone

J. G. Garcia, J. D. Enas, H. F. VanBrocklin and F. R. Fronczek

Formula: C₉H₇FO and C₁₁H₁₁FO

 

cis,trans-3,3'-Sulfinylbis(acrylic acid)

T. R. Webb, Z.-C. Ho and P. Livant

Formula: C₆H₆O₅S

 

Decahydro-6,6-dimethoxy-1,2,2,4-tetramethylquinolinium Picrate

O. Kasemann, P. Stanetty and K. Mereiter

Formula: C₁₅H₃₀NO₂⁺.C₆H₂N₃O₇^-

 

Ergotamine Tartrate Bis(ethanol) Solvate

S. Pakhomova, J. Ondráucek, M. Huusák, B. Kratochvíl, A. Jegorov and J. Stuchlík

Formula: C₃₃H₃₆N₅O₅⁺.0.5C₄H₄O₆^2-.2C₂H₆O

 

2-Methoxy-5-(4-nitrostyryl)phenol

Z.-D. Li and G. Su

Formula: C₁₅H₁₃NO₄

 

2,4,7,9-Tetra-tert-butyl-1,3,7,9-decatetraene

J. S. Overby and T. P. Hanusa

Formula: C₂₆H₄₆

 

Thiamin Thiothiazolone Acetone Solvate, C₁₂H₁₆N₄OS₂.0.5C₃H₆O

W. Shin and B. C. Lim

Formula: C₁₂H₁₆N₄OS₂.0.5C₃H₆O

 

The Novel GABA_A Receptor Ligand NNC 14-0764: 5-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydrodiimidazo[1,5-a:1',2'-c]quinazoline

R. A. Palmer, R. W. Janes, A. L. Corper, J. N. Lisgarten and H. C. Hansen

Formula: C₁₇H₁₄N₆O

 

Polymorph (II) of Methyl 3-(4-Ethoxy--hydroxyiminobenzyl)-1,2,2-trimethyl-cyclopentanecarboxylate

J. Nurit, J. Rambaud, B. Pauvert, A. Térol, P. Chevallet, O. Doumbia and J.-P. Declercq

Formula: C₁₉H₂₇NO₄

 

6'-Diethylamino-2'-nitrospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one

X.-L. Liu, J.-L. Wang, J.-W. Liu and F.-M. Miao

Formula: C₂₄H₂₀N₂O₅

 

Phenyl 2-Fluorobenzoate, Phenyl 4-Fluorobenzoate and Phenyl Benzoate

M. Shibakami and A. Sekiya

Formula: Two isomers of C₁₃H₉FO₂ and C₁₃H₁₀O₂

 

3,4,5-Trimethoxybenzaldehyde Thiosemicarbazone Monohydrate

M. K. Kokila, Puttaraja. Puttaraja, M. V. Kulkarni and S. Thampi

Formula: C₁₁H₁₅N₃O₃S.H₂O

 

4-Amino-N-(2-pyrimidinyl)benzenesulfonamide

M. K. Kokila, Puttaraja. Puttaraja, M. V. Kulkarni and S. Thampi

Formula: C₁₀H₁₀N₄O₂S

 

N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide

R. Puliti and C. A. Mattia

Formula: C₇H₁₃N₃O₃ and C₈H₁₅N₃O₃: Ca₆Al₅SiO₁₆Cl₃: C₂₆H₃₈O₁₀

addenda and errata

 

Comments on wadalite, Ca₆Al₅SiO₁₆Cl₃, and the structures of garnet, mayenite and calcium chlorosilicate. Addendum

F. P. Glasser

Synopsis: Addendum to Acta Cryst. (1993), C49, 205-207.

 

Functionalized hydrocarbons with condensed ring skeletons. XV. A (methoxymethoxymethyl)tricyclo[9.4.0.0^2,8]pentadec-9-ene. Erratum

A. G. Michel, D. G. Hall and M. Drouin

Synopsis: Erratum to Acta Cryst. (1993), C49, 1830-1833.

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