Crystal Structure Communications

 

Acta Cryst. (2000). C56, 623-624  [ doi:10.1107/S0108270100003024 ]

Gd₂OSe₂

O. Tougait and J. A. Ibers

Synopsis: Gd₂OSe₂ is the first rare-earth monooxygen diselenide to be characterized structurally. It is isostructural with the low-pressure form of Dy₂OS₂. Its structure comprises the close packing of Gd-centered bicapped trigonal prisms and Gd-centered distorted octahedra.

Formula: Gd₂OSe₂

Online June 2000

 

Acta Cryst. (2000). C56, 625-626  [ doi:10.1107/S0108270100003036 ]

CsTiP₂O₇

F. Q. Huang and J. A. Ibers

Synopsis: CsTiP₂O₇ crystallizes in the KAlP₂O₇ structure type. It has a three-dimensional tunnel structure built by the corner-sharing of distorted TiO₆ octahedra and P₂O₇ pyrophosphate groups. The Cs⁺ cations are in the tunnels.

Formula: CsTiP₂O₇

Online June 2000

 

Acta Cryst. (2000). C56, 627-628  [ doi:10.1107/S0108270100003164 ]

Lanthanum selenite, La₂(SeO₃)₃

W. T. A. Harrison

Synopsis: The new structure of La₂(SeO₃)₃ consists of LaO₁₀ polyhedra and SeO₃ pyramids sharing faces, edges and vertices. The three-dimensional structure contains pseudo-channels associated with the Se^IV lone pairs.

Formula: La₂(SeO₃)₃

Online June 2000

 

Acta Cryst. (2000). C56, 629-630  [ doi:10.1107/S0108270100003917 ]

-K₂Cr₂O₇

S. V. Krivovichev, E. V. Kir'yanova, S. K. Filatov and P. C. Burns

Synopsis: The structure of monoclinic dipotassium dichromate consists of K⁺ cations and Cr₂O₇^2- dimers.

Formula: K₂Cr₂O₇

Online June 2000

 

Acta Cryst. (2000). C56, 631-632  [ doi:10.1107/S0108270100004078 ]

RbLi₂Ga₂(BO₃)₃

J. L. Kissick and D. A. Keszler

Synopsis: The structure of RbLi₂Ga₂(BO₃)₃ is an ordered derivative of KZn(BO₃)₃. It exhibits a three-dimensional framework of BO₃ triangles, and LiO₄ and GaO₄ tetrahedra that isolates the Rb atoms in channels extending along the b axis.

Formula: RbLi₂Ga₂(BO₃)₃

Online June 2000

 

Acta Cryst. (2000). C56, 633-634  [ doi:10.1107/S0108270100001001 ]

(⁶-Hexamethylbenzene)(mesidine)ditriflatoruthenium(II)

F. J. Feher, R. K. Baldwin and J. W. Ziller

Formula: [Ru(CF₃O₃S)₂(C₁₂H₁₈)(C₉H₁₃N)]

Online June 2000

 

Acta Cryst. (2000). C56, 635-636  [ doi:10.1107/S0108270100001293 ]

The bis(⁵-cyclopentadienyl)methylzirconium(IV) methyltris(pentafluorophenyl)borate ion pair

I. A. Guzei, R. A. Stockland and R. F. Jordan

Formula: [Zr(CH₃)(C₅H₅)₂](C₁₉H₃BF₁₅)

Online June 2000

 

Acta Cryst. (2000). C56, 637-638  [ doi:10.1107/S010827010000161X ]

Polymeric bis(glycolato)cobalt(II)

G. Medina, L. Gasque and S. Bernès

Formula: [Co(C₂H₃O₃)₂]

Online June 2000

 

Acta Cryst. (2000). C56, 639-641  [ doi:10.1107/S0108270100002547 ]

K₂[Mo₂O₄(C₂O₄)₂(H₂O)₂]·3H₂O

N. Strukan, M. Cindric and B. Kamenar

Formula: K₂[Mo₂O₄(C₂O₄)₂(H₂O)₂]·3H₂O

Online June 2000

 

Acta Cryst. (2000). C56, 642-643  [ doi:10.1107/S0108270100002924 ]

Disodium tetrakis(hexanoato-O)zinc(II)

N. Lah, G. Rep, P. Segedin, L. Golic and I. Leban

Formula: Na₂[Zn(C₆H₁₁O₂)₄]

Online June 2000

 

Acta Cryst. (2000). C56, 644-646  [ doi:10.1107/S010827010000305X ]

20-Dicyanomethylene-5,8,11,14-tetraoxa-2,17-dithiabicyclo[16.4.1]tricosa-1(23),18,21-triene and its mercury(II) dichloride complex

K. Kubo, N. Kato, A. Mori and H. Takeshita

Formula: C₂₀H₂₄N₂O₄S₂ and [HgCl₂(C₂₀H₂₄N₂O₄S₂)]

Online June 2000

 

Acta Cryst. (2000). C56, 647-648  [ doi:10.1107/S0108270100003188 ]

Manganese mercury thiocyanate (MMTC) glycol monomethyl ether

X. Q. Wang, W. T. Yu, D. Xu, M. K. Lu, D. R. Yuan and G. T. Lu

Formula: [MnHg(NCS)₄(C₃H₈O₂)]

Online June 2000

    

Acta Cryst. (2000). C56, 649-650  [ doi:10.1107/S0108270100003176 ]

Monomeric bis(2,4-pentanedionato)cobalt(II)

J. Burgess, J. Fawcett, D. R. Russell and S. R. Gilani

Formula: [Co(C₅H₇O₂)₂]

Online June 2000

 

Acta Cryst. (2000). C56, 651-652  [ doi:10.1107/S0108270100003474 ]

(4,4'-Bipyridine)dichloromanganese(II), a two-dimensional coordination polymer

A. M. Chippindale, A. R. Cowley and K. J. Peacock

Formula: [MnCl₂(C₁₀H₈N₂)]

Online June 2000

 

Acta Cryst. (2000). C56, 653-654  [ doi:10.1107/S0108270100003577 ]

cis-[(4R,5R)-4,5-Bis(aminomethyl)-2,2-dimethyl-1,3-dioxolane-N,N'](malonato-O,O')platinum(II), an anticancer agent

S. W. Cho, Y. Cho, D.-K. Kim and W. Shin

Formula: [Pt(C₃H₂O₄)(C₇H₁₆N₂O₂)]

Online June 2000

 

Acta Cryst. (2000). C56, 655-658  [ doi:10.1107/S0108270100003942 ]

The Ni^II, Hg^II and Cu^II complexes of 12-membered-ring mixed-donor macrocycles

S. T. Marcus, L. R. Gahan and P. V. Bernhardt

Formula: Ni^II, Hg^II and Cu^II macrocycle complexes

Online June 2000

 

Acta Cryst. (2000). C56, 659-660  [ doi:10.1107/S010827010000398X ]

(12-Hydroxymethyl-5,5,7,12,14-pentamethyl-1,4,8,11-tetraazacyclotetradecane-N-acetato-N,N',N'',N''',O,O')cobalt(III) chloride perchlorate monohydrate

K. Panneerselvam, T.-H. Lu, T.-Y. Chi, S.-F. Tung and C.-S. Chung

Formula: [Co(C₁₈H₃₇N₄O₃)](ClO₄)Cl·H₂O

Online June 2000

 

Acta Cryst. (2000). C56, 661-663  [ doi:10.1107/S0108270100004200 ]

Tris(ethylenediamine-N,N')cobalt(III) oxalate perchlorate dihydrate

J. Cai, Y. Zhang, X. Hu and X. Feng

Formula: [Co(C₂H₈N₂)₃](C₂O₄)(ClO₄)·2H₂O

Online June 2000

 

Acta Cryst. (2000). C56, 664-665  [ doi:10.1107/S0108270100002912 ]

Bis(ferrocenium) bis[tetrachloroantimonate(III)] trichloroantimony(III)

I. A. Razak, S. Shanmuga Sundara Raj, H.-K. Fun, B. M. Yamin and N. Hashim

Formula: [Fe(C₅H₅)₂]₂[SbCl₄]₂[SbCl₃]

Online June 2000

 

Acta Cryst. (2000). C56, 666-667  [ doi:10.1107/S0108270100003760 ]

(Piperidine-1-carbodithioato-S,S')bis(triphenylphosphine-P)gold(I)

I. A. Razak, S. Shanmuga Sundara Raj, H.-K. Fun, F. Jian, F. Bei, X. Yang, L. Lu and X. Wang

Formula: [Au(C₆H₁₀NS₂)(C₁₈H₁₅P)₂]

Online June 2000

 

Acta Cryst. (2000). C56, 668-669  [ doi:10.1107/S0108270100003966 ]

Diamminebis(2,4,6-tribromophenolato-O)copper(II)

L. Tatar, G. Gökagac and D. Ülkü

Formula: [Cu(C₆H₂Br₃O)₂(NH₃)₂]

Online June 2000

 

Acta Cryst. (2000). C56, 670-671  [ doi:10.1107/S0108270100000512 ]

Interaction between a dimethylamino group and an electron-deficient alkene in ethyl (E)-2-cyano-3-(8-dimethylamino-1-naphthyl)propenoate

P. C. Bell, M. Drameh, N. Hanly and J. D. Wallis

Formula: C₁₈H₁₈N₂O₂

Online June 2000

 

Acta Cryst. (2000). C56, 672-673  [ doi:10.1107/S0108270100002729 ]

1,4,4-Trimethyl-9-phenyl-8-oxa-9-azabicyclo[3.2.2]non-6-en-2-one

S. Russi, H. Pardo, H. Heinzen, E. Dias, P. Moyna, R. A. Mariezcurrena, L. Suescun and A. W. Mombrú

Formula: C₁₆H₁₉NO₂

Online June 2000

 

Acta Cryst. (2000). C56, 674-676  [ doi:10.1107/S0108270100002778 ]

(E)-2-Methyl-5-(1-naphthylmethyl)cinnamic acid

R. E. Gerkin

Formula: C₂₁H₁₈O₂

Online June 2000

 

Acta Cryst. (2000). C56, 677-678  [ doi:10.1107/S0108270100002900 ]

Hydrogen bonds and C-HO interactions in 2,2'-dimethoxybiphenyl-5,5'-dimethanol at 150 K

R. E. Gerkin

Formula: C₁₆H₁₈O₄

Online June 2000

 

Acta Cryst. (2000). C56, 679-681  [ doi:10.1107/S0108270100004649 ]

Bis(4-nitrophenyl) disulfide at 150 K, a three-dimensional framework built from C-HO hydrogen bonds and aromatic stacking interactions

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

Formula: C₁₂H₈N₂O₄S₂

Online June 2000

 

Acta Cryst. (2000). C56, 682-683  [ doi:10.1107/S010827010000456X ]

N-Nitrosomelatonin

A. Turjanski, Z. D. Chaia, F. Doctorovich, D. Estrin, R. Rosenstein and O. E. Piro

Formula: C₁₃H₁₅N₃O₃

Online June 2000

 

Acta Cryst. (2000). C56, 684-686  [ doi:10.1107/S0108270100003140 ]

Two strained hexahelicenophanes

H. Meier, M. Schwertel and D. Schollmeyer

Formula: C₃₄H₃₀O₂ and C₃₆H₃₄O₂

Online June 2000

 

Acta Cryst. (2000). C56, 687-688  [ doi:10.1107/S0108270100003152 ]

2-(2-Pyridylimino)-2H-1,2,4-thiadiazolo[2,3-a]pyridine

S. J. Coles, D. Douheret, M. B. Hursthouse and J. D. Kilburn

Formula: C₁₁H₈N₄S

Online June 2000

 

Acta Cryst. (2000). C56, 689-691  [ doi:10.1107/S0108270100003346 ]

Conformational preferences in 2-nitrophenylthiolates: S-(2-nitrophenyl) 4-toluenethiosulfonate

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

Formula: C₁₃H₁₁NO₄S₂

Online June 2000

 

Acta Cryst. (2000). C56, 692-694  [ doi:10.1107/S0108270100003280 ]

A second monoclinic polymorph of S-(4-tolyl) 4-toluenethiosulfonate at 150 and 293 K

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

Formula: C₁₄H₁₄O₂S₂ at 150 and 293 K

Online June 2000

 

Acta Cryst. (2000). C56, 695-696  [ doi:10.1107/S0108270100003413 ]

An oxazol-5(4H)-one from benzyloxycarbonyl-(Aib)₄-OH

M. Crisma, F. Formaggio and C. Toniolo

Formula: C₂₄H₃₄N₄O₆

Online June 2000

 

Acta Cryst. (2000). C56, 697-699  [ doi:10.1107/S0108270100003449 ]

4-Hydroxy-ONN-azoxybenzene

K. Ejsmont, A. Domanski, J. Kyziol and J. Zaleski

Formula: C₁₂H₁₀N₂O₂

Online June 2000

 

Acta Cryst. (2000). C56, 700-701  [ doi:10.1107/S0108270100003681 ]

Octa-O-acetyl-,-thiotrehalose

M. Färnbäck, L. Eriksson and G. Widmalm

Formula: C₂₈H₃₈O₁₈S

Online June 2000

 

Acta Cryst. (2000). C56, 702-704  [ doi:10.1107/S0108270100003589 ]

Methyl 4-O--L-fucopyranosyl -D-glucopyranoside hemihydrate

L. Eriksson, R. Stenutz and G. Widmalm

Formula: C₁₃H₂₄O₁₀·0.5H₂O

Online June 2000

 

Acta Cryst. (2000). C56, 705-707  [ doi:10.1107/S010827010000353X ]

2-(1,3-Dithian-2-yl)benzaldehyde and N-{2-[2-(1,3-dioxan-2-yl)phenoxy]ethyl}phthalimide

P. G. Jene and J. A. Ibers

Formula: C₁₁H₁₂OS₂ and C₂₀H₁₉NO₅

Online June 2000

 

Acta Cryst. (2000). C56, 708-710  [ doi:10.1107/S0108270100003590 ]

Intermolecular interactions and molecular geometry in molecular complexes of N,N-dimethylaniline: the 1:1 complex with 1,2,4,5-tetracyanobenzene

T. Dahl

Formula: C₈H₁₁N·C₁₀H₂N₄

Online June 2000

 

Acta Cryst. (2000). C56, 711-713  [ doi:10.1107/S0108270100003565 ]

New limonoids from Harrisonia perforata (Blanco) Merr.

A. Chiaroni, C. Riche, Q. Khuong-Huu, H. Nguyen-Ngoc, K. Nguyen-Viet and F. Khuong-Huu

Formula: C₂₇H₃₂O₉ and C₂₇H₃₄O₁₀

Online June 2000

 

Acta Cryst. (2000). C56, 714-715  [ doi:10.1107/S0108270100003541 ]

The conversion of a pyrrole trimer derivative into a 4,5,6,7-tetrahydro-4-(pyrrol-2-yl)indol-7-yltosylaminoindole

Y. Zhao, M. Helliwell and J. A. Joule

Formula: C₂₁H₂₁N₃O₄S

Online June 2000

 

Acta Cryst. (2000). C56, 716-717  [ doi:10.1107/S0108270100004121 ]

Self-assembly of 2-pivaloyl-6-chloropterin

S. Goswami, R. Mukherjee, K. Ghosh, I. A. Razak, S. Shanmuga Sundara Raj and H.-K. Fun

Formula: C₁₁H₁₂ClN₅O₂

Online June 2000

 

Acta Cryst. (2000). C56, 718-719  [ doi:10.1107/S0108270100003978 ]

1,4-Bis(2-benzimidazolyl)benzene

F. Bei, F. Jian, X. Yang, L. Lu, X. Wang, S. Shanmuga Sundara Raj and H.-K. Fun

Formula: C₂₀H₁₄N₄

Online June 2000

 

Acta Cryst. (2000). C56, 720-722  [ doi:10.1107/S0108270100003929 ]

Zwitterionic pyrrolidine-2,2-diylbis(phosphonic acid) at 100, 150 and 293 K

G. Olive, D. D. Ellis, D. Siri, F. Le Moigne, M. Lutz, A. L. Spek, P. Tordo and J.-P. Reboul

Formula: C₄H₁₁NO₆P₂ at 100, 150 and 293 K

Online June 2000

 

Acta Cryst. (2000). C56, 723-725  [ doi:10.1107/S0108270100004066 ]

1-tert-Butyl-2-methylphospholane-borane and its coupling product 2,2'-bis(1-tert-butylphospholane-borane)

A. Ohashi and T. Imamoto

Formula: C₉H₂₂BP and C₁₆H₃₈B₂P₂

Online June 2000

 

Acta Cryst. (2000). C56, 726-728  [ doi:10.1107/S0108270100001220 ]

The oxidized form of nicotinamide adenine dinucleotide

B. Guillot, C. Jelsch and C. Lecomte

Formula: C₂₁H₂₇N₇O₁₄P₂·4H₂O

Online June 2000

 

Acta Cryst. (2000). C56, e228-e229  [ doi:10.1107/S0108270100006053 ]

Rinneite, K₃Na[FeCl₆], at 293, 84 and 9.5 K

B. N. Figgis, A. N. Sobolev, E. S. Kucharski and V. Broughton

Synopsis: Precise X-ray structure determinations of K₃Na[FeCl₆] have been performed at 293, 84 and 9.5 K.

Formula: K₃Na[FeCl₆]

Online June 2000

 

Acta Cryst. (2000). C56, e230-e231  [ doi:10.1107/S0108270100006442 ]

Magnesium sulfate hexahydrate at 120 K

A. S. Batsanov

Synopsis: The title structure was redetermined at 120 K, confirming the hydrogen-bond pattern found at room temperature, but showing the librational corrections of bond lengths to be unrealistic. The octahedral coordination of Mg atoms is slightly distorted due to hydrogen bonding.

Formula: [Mg(H₂O)₆]SO₄

Online June 2000

 

Acta Cryst. (2000). C56, e232  [ doi:10.1107/S0108270100006855 ]

Potassium barium bismuth oxide

G. Derrien, M. Tillard, L. Monconduit and C. Belin

Synopsis: Crystals of KBa₄Bi₃O have been obtained from melting of the elements. The structure contains Bi₂^4- dumbbells [Bi-Bi = 3.113 (3) Å] and isolated Bi^3- anions coordinated by K and Ba atoms. O atoms lie at the centres of Ba tetrahedra.

Formula: KBa₄Bi₃O

Online June 2000

 

Acta Cryst. (2000). C56, e233-e235  [ doi:10.1107/S010827010000603X ]

Four copper(II) complexes with potentially tetradentate tripodal ligands

Y. Kani, S. Ohba, S. Ito and Y. Nishida

Synopsis: The four title Cu^II compounds, namely [Cu(fpy)Cl]ClO₄, [Cu(etpa)Cl][CuCl₄]_1/2, [Cu(mopy)Cl]ClO₄ and [Cu(pipy)Cl]PF₆, where fpy is (2-furylmethyl)bis(2-pyridylmethyl)amine, etpa is 2-[bis(2-pyridylmethyl)amino]ethanolate, mopy is (2-morpholinoethyl)bis(2-pyridylmethyl)amine and pipy is (2-piperidinylethyl)bis(2-pyridylmethyl)amine, have potentially tetradentate tripodal ligands. In [Cu(fpy)Cl]ClO₄ (shown opposite), the O atom of the furan moiety coordinates weakly to the Cu atom at a distance of 2.750 (3) Å.

Online June 2000

 

Acta Cryst. (2000). C56, e236-e237  [ doi:10.1107/S0108270100006089 ]

Tribenzyl{⁵-[2-(p-tolyl)prop-2-yl]cyclopentadienyl}zirconium

J. Saßmannshausen, J. Rust and R. Goddard

Synopsis: The title compound crystallizes from light petroleum with two independent molecules in the asymmetric unit. In both molecules, one of the three benzyl ligands is ²-bonded to the Zr atom, indicated by the smallest Zr-CH₂Ph angle and the consequently relatively short ZrC_ipso distance.

Formula: [Zr(C₇H₇)₃(C₁₅H₁₇)]

Online June 2000

 

Acta Cryst. (2000). C56, e238-e239  [ doi:10.1107/S0108270100006107 ]

Tris(1,10-phenanthroline-N,N')chromium(III) triperchlorate hydrate

R. L. Luck, P. Gawryszewska and J. P. Riehl

Synopsis: The structure of the cation in the title compound consists of the Cr atom bonded to the N atoms of the three 1,10-phenanthroline ligands, resulting in a distorted octahedral arrangement with the six Cr-N distances ranging from 2.040 (4) to 2.055 (4) Å. One of the perchlorate anions is disordered and is located around two special positions.

Formula: [Cr(C₁₂H₈N₂)₃](ClO₄)₃·H₂O

Online June 2000

 

Acta Cryst. (2000). C56, e240-e241  [ doi:10.1107/S0108270100006119 ]

-Terephthalato-bis[bis(1,10-phenanthroline)copper(I)] diperchlorate

D. Sun, R. Cao, Y. Liang, M. Hong, W. Su and J. Weng

Synopsis: The title compound is a centrosymmetric dimer. The terephthalate moiety acts as a bridging ligand and the phenanthrolines as terminal ligands. The unique Cu atom is coordinated by two O and four N atoms in a distorted octahedral geometry, with Cu-O distances of 1.955 (2) and 2.815 (2) Å, and Cu-N distances of 2.008 (2)-2.216 (2) Å.

Formula: [Cu₂(C₈H₄O₄)(C₁₂H₈N₂)₄](ClO₄)₂

Online June 2000

 

Acta Cryst. (2000). C56, e242-e244  [ doi:10.1107/S0108270100006132 ]

cis-Bis(dicyanamido)bis(1,10-phenanthroline)manganese(II) and cis-bis(dicyanamido)bis(1,10-phenanthroline)zinc(II)

Z.-M. Wang, J. Luo, B.-W. Sun, C.-H. Yan, C.-S. Liao and S. Gao

Synopsis: The isomorphous title compounds, (I) and (II), respectively, are monomeric and show distorted octahedral coordination with the monodentate dicyanamide ligands in cis positions. In both molecules, the metal-N(phenanthroline) bonds trans to the dicyanamide ligands are significantly longer than the other two.

Formula: [Zn(C₁₂H₈N₂)₂(C₂N₃)₂] and [Mn(C₁₂H₈N₂)₂(C₂N₃)₂]

Online June 2000

 

Acta Cryst. (2000). C56, e245-e246  [ doi:10.1107/S0108270100006144 ]

(o-Benzoquinone diimine-N,N')dichlorobis(triphenylphosphine-P)ruthenium(II) 1.33-methanol 0.33-dichloromethane solvate

D. Venegas-Yazigi, H. Mirza, A. B. P. Lever, A. J. Lough, J. Costamagna, A. Vega and R. Latorre

Synopsis: The Ru atom in the title complex shows an octahedral coordination and a trans arrangement of the triphenylphosphine ligands. The observed bond lengths indicate a quinone rather than a diamide form for the o-benzoquinone diimine ligand. The complex molecule, in a special position, has crystallographic twofold symmetry.

Formula: [RuCl₂(C₁₈H₁₅P)₂(C₆H₆N₂)]·1.33CH₄O·0.33CH₂Cl₂

Online June 2000

 

Acta Cryst. (2000). C56, e247-e248  [ doi:10.1107/S0108270100006314 ]

(Acetonitrile-N)(o-benzoquinone diimine-N,N')chloro-trans-bis(triphenylphosphine-P)ruthenium(II) hexafluorophosphate 0.25-hydrate

D. Venegas-Yazigi, H. Mirza, A. B. P. Lever, A. J. Lough, J. Costamagna and R. Latorre

Synopsis: The Ru atom in the title complex shows an octahedral coordination. The Cl^- ion and the acetonitrile molecule are in the same plane as the o-benzoquinone diimine ligand, and the triphenylphosphine ligands are trans. Bond distances for the benzoquinone diimine ring establish a quinone arrangement.

Formula: [RuCl(C₂H₃N)(C₆H₆N₂)(C₁₈H₁₅P)₂]PF₆·0.25H₂O

Online June 2000

 

Acta Cryst. (2000). C56, e249-e250  [ doi:10.1107/S0108270100006600 ]

Hexaaquacobalt(II) bis(4-toluenesulfonate)

S. Cabaleiro-Martínez, J. Castro, J. Romero, J. A. García-Vázquez and A. Sousa

Synopsis: The title compound consists of a hexaaquacobalt(II) cation and 4-toluenesulfonate anions, with no direct coordination of the anion to cobalt. The Co atom, in an octahedral geometry, is on a centre of inversion. The supramolecular structure consists of parallel layers of cations and anions. The anions are arranged with their sulfonate groups directed towards the cation layer in an alternating fashion and form hydrogen bonds with the water molecules of the cation.

Formula: [Co(H₂O)₆](C₇H₇O₃S)₂

Online June 2000

 

Acta Cryst. (2000). C56, e251-e252  [ doi:10.1107/S0108270100006843 ]

Tricarbonyl[(6a,7,8,9,10a-)-3,3-dimethyl-3H-benzo[f]chromene]chromium

G. Pèpe, P. Hannesschlager and P. Brun

Synopsis: The title compound is photochromic. Comparison with related complexes indicates that complexation with tricarbonylchromium has only minor effects on the structure of the chromene.

Formula: [Cr(C₁₅H₁₄O)(CO)₃]

Online June 2000

 

Acta Cryst. (2000). C56, e253-e254  [ doi:10.1107/S0108270100006041 ]

Dysobinin, a tetranortriterpenoid

S. Sarkhel, G. K. Jain, S. Singh, H. S. Subramanya and P. R. Maulik

Synopsis: Our analysis of the title compound establishes its relative stereochemistry. The planar furan ring is twisted with respect to the steroid D ring and the crystal structure is stabilized by C-HO hydrogen bonds and van der Waals interactions.

Formula: C₃₀H₃₈O₆

Online June 2000

 

Acta Cryst. (2000). C56, e255-e256  [ doi:10.1107/S0108270100006065 ]

Two hydrochlorides of 7-methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene

C. Lodeiro, R. Bastida, A. Macías, A. Rodríguez and A. Saint-Maurice

Synopsis: The X-ray structure determinations of the dihydrochloride monohydrate, (I), and the trihydrochloride, (II), of 7-methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene are reported. Protonation occurs at the secondary amine N atoms in (I) and at all the three amine N atoms in (II) to which the Cl^- ions are linked via N-HCl hydrogen bonds.

Formula: C₁₄H₂₇N₄³⁺·2.826Cl^-·0.174NO₃^- and C₁₄H₂₆N₄²⁺·2Cl^-·H₂O

Online June 2000

 

Acta Cryst. (2000). C56, e257-e258  [ doi:10.1107/S0108270100006077 ]

Dimethylphenylsulfonium trifluoromethanesulfonate and methyldiphenylsulfonium trifluoromethanesulfonate

K. Schulze-Matthäi, J. Bendig, P. Neubauer and B. Ziemer

Synopsis: Sulfonium salts are known as photo acid generators (PAG) and have found a wide range of uses in photo-optical applications. Comparing the cations in the title compounds, (I) and (II), respectively, there is no significant effect of the methyl/phenyl substituents on the bonding characteristics of the central S atom. As expected, in both cations, the S-Ph bonds are somewhat shorter than the S-Me bonds and the interactions between cations and anions, in both crystal structures, are similar.

Formula: C₈H₁₁S⁺·CF₃SO₃^- and C₁₃H₁₃S⁺·CF₃SO₃^-

Online June 2000

 

Acta Cryst. (2000). C56, e259  [ doi:10.1107/S0108270100006090 ]

[Tris(4-tolyl)methyl]benzene

R. K. R. Jetti and A. Nangia

Synopsis: The crystal structure of the title compound in the monoclinic space group C2/c has a columnar packing arrangement with a 7.20 Å axis, a feature common to several tetraphenylmethanes.

Formula: C₂₈H₂₆

Online June 2000

 

Acta Cryst. (2000). C56, e260-e261  [ doi:10.1107/S0108270100006120 ]

1,3-Propanediammonium bis(3'-nitro-trans-cinnamate) and trans-1,2-cyclohexanediammonium bis(3'-nitro-trans-cinnamate)

H. Hosomi, S. Ohba and Y. Ito

Synopsis: In the two title adducts, (I) and (II), respectively, hydrogen bonds between the diammonium and carboxylate ions form a two-dimensional network parallel to the ab plane in (I) and one-dimensional chains along the c axis in (II). The cyclohexanediammonium ion in (II) has a crystallographic twofold axis.

Formula: C₆H₁₆N₂²⁺·2C₉H₆NO₄^- and C₃H₁₂N₂²⁺·2C₉H₆NO₄^-

Online June 2000

 

Acta Cryst. (2000). C56, e262  [ doi:10.1107/S0108270100006156 ]

Tris(2-cyanoethyl)amine

A.-W. Xu, Y.-P. Cai, C.-Y. Su and H.-K. Liu

Synopsis: The title compound adopts a conformation with three cyanoethyl groups oriented in the same direction, suggesting the compound may behave as a potential tripodal ligand.

Formula: C₉H₁₂N₄

Online June 2000

 

Acta Cryst. (2000). C56, e263-e264  [ doi:10.1107/S0108270100006326 ]

Ferroelastic n-butylammonium dihydrogenphosphate

J. Fábry, I. Císarová and J. Kroupa

Synopsis: n-Butylammonium dihydrogen phosphate is ferroelastic. Ferroelastic switching is concomitant with the hopping of some H atoms involved in hydrogen bonds from donor to acceptor O atoms.

Formula: C₄H₁₂N⁺·H₂PO₄^-

Online June 2000

 

Acta Cryst. (2000). C56, e265-e266  [ doi:10.1107/S0108270100006430 ]

3-Acetoxycyclohex-4-ene-1,2-dicarboxylic anhydride

A. R. Kennedy, A. I. Khalaf and C. J. Suckling

Synopsis: The title compound was found to exist as the endo-cis isomer with a pair of enantiomers in the asymmetric unit. The cyclohexene ring is folded about the methylene-to-CH(acetoxy) vector to give a boat conformation.

Formula: C₁₀H₁₀O₅

Online June 2000

 

Acta Cryst. (2000). C56, e267  [ doi:10.1107/S0108270100006508 ]

(R)-(+)-2,2'-Bis(diphenylphosphinoyl)-1,1'-binaphthyl

K. A. Bunten, D. H. Farrar and A. J. Lough

Synopsis: The title compound (BINAP oxide) was synthesized by direct oxidation of (R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl (BINAP) with tert-butyl hydroperoxide in toluene solution. The angle between the naphthyl planes of the binaphthyl group is 94.17 (3)°.

Formula: C₄₄H₃₂O₂P₂

Online June 2000

 

Acta Cryst. (2000). C56, e268  [ doi:10.1107/S0108270100006612 ]

1-(2-Hydroxy-4,6-dimethylphenyl)ethanone

L. Armelao, G. Depaoli and A. Dolmella

Synopsis: The air-stable title compound was obtained by heating liquid acetylacetone with solid triphenylbismuth and was recrystallized from benzene. The product has two symmetry-equivalent but essentially identical molecules in the asymmetric unit, both showing an intramolecular O-HO hydrogen bond.

Formula: C₁₀H₁₂O₂

Online June 2000

 

Acta Cryst. (2000). C56, e269-e270  [ doi:10.1107/S0108270100006636 ]

3,5-Difluoro-4-nitropyridine N-oxide and 3,5-diamino-4-nitropyridine N-oxide monohydrate

A. S. Batsanov

Synopsis: In the molecules of the title compounds, (I) and (II), respectively, that of (I) is twisted around the C-NO₂ bond by 38.5 (1)°, while that of (II) adopts a planar conformation stabilized by intramolecular hydrogen bonds, with a significant redistribution of electrons.

Formula: C₅H₂F₂N₂O₃ and C₅H₆N₄O₃·H₂O

Online June 2000

 

Acta Cryst. (2000). C56, e271-e272  [ doi:10.1107/S0108270100006867 ]

Diethyl 9,10-dihydro-9,10-ethanoanthracene-11,12-trans-dicarboxylate

D. Winicker and M. Bolte

Synopsis: The title compound is the product of the Diels-Alder reaction of anthracene with fumaric acid diethyl ester. The molecular C₂ symmetry is nearly fulfilled in the crystal. Only the terminal torsion angles about the O-CH₂ groups show significant differences.

Formula: C₂₂H₂₂O₄

Online June 2000

 

Acta Cryst. (2000). C56, e273  [ doi:10.1107/S0108270100007034 ]

Dichloromaleic anhydride

A. J. Blake, R. M. T. Griffiths, S. M. Howdle and C. Wilson

Synopsis: Molecules of the title compound possess approximate non-crystallographic C_2v symmetry, which is broken by the two chlorine substituents deviating from the ring plane. The closest intermolecular contacts are of 2.888 (2) Å between a carbonyl O atom and the C atom of a carbonyl group, forming chains of molecules.

Formula: C₄Cl₂O₃

Online June 2000

 

Acta Cryst. (2000). C56, e274-e275  [ doi:10.1107/S0108270100007046 ]

Pyridine-4-carbaldehyde azine

S. Shanmuga Sundara Raj, H.-K. Fun, J. Zhang, R.-G. Xiong and X.-Z. You

Synopsis: In the crystal structure of the title compound, the pyridine ring makes a dihedral angle of 1.12 (9)° with the mean plane of the complete almost planar and crystallographically centrosymmetric molecule. There are stacks of parallel molecules along the a-axis direction, with alternate stacks having a herring-bone arrangement relative to each other and an interplanar spacing of 3.551 Å.

Formula: C₁₂H₁₀N₄

Online June 2000

 

Acta Cryst. (2000). C56, e276-e277  [ doi:10.1107/S0108270100007241 ]

3-Acetyl-4-benzoyl-2-methyl-5-phenyl-3,3a-dihydropyrazolo[2,3-c]pyrimidine-7(6H)-thione

M. Akkurt, S. Öztürk, H.-K. Fun, Z. Önal and B. Altural

Synopsis: The molecule of the title compound is not planar. The dihedral angle between the two phenyl rings is 27.46 (7)° and in the dihydropyrazolopyrimidine ring the total puckering amplitude Q_T is 0.526 (3) Å. The structure is stabilized by both intra- and intermolecular C-HO interactions, and by an intermolecular N-HS hydrogen bond.

Formula: C₂₂H₁₉N₃O₂S

Online June 2000