Crystal Structure Communications

 

Acta Cryst. (2003). C59, i117-i119  [ doi:10.1107/S0108270103021693 ]

Twinned -LiRb₂(CF₃SO₃)₃

M. Pompetzki, K. Friese and M. Jansen

Synopsis: The structure of twinned -LiRb₂(CF₃SO₃)₃ consists of channel-like patterns built up of lipophilic CF₃ groups pointing towards each other, with the polar interstices occupied by cations.

Formula: LiRb₂(CF₃SO₃)₃

Online 8 November 2003

 

Acta Cryst. (2003). C59, i120-i124  [ doi:10.1107/S0108270103023321 ]

Lithium and sodium yttrium orthosilicate oxyapatite, LiY₉(SiO₄)₆O₂ and NaY₉(SiO₄)₆O₂, at both 100  K and near room temperature

G. R. Redhammer and G. Roth

Synopsis: The structures of LiY₉(SiO₄)₆O₂ and NaY₉(SiO₄)₆O₂ have been determined from single-crystal X-ray diffraction data collected near room temperature and at 100  K. The structures are very similar to one another and to that of fluorine apatite.

Formula: LiY₉(SiO₄)₆O₂ and NaY₉(SiO₄)₆O₂

Online 8 November 2003

 

Acta Cryst. (2003). C59, i125-i127  [ doi:10.1107/S0108270103024776 ]

Partial Sn-atom ordering in Sm₃Ga_0.80-2.48Sn_4.20-2.52

Y. O. Tokaychuk, Y. E. Filinchuk, A. O. Fedorchuk and O. I. Bodak

Synopsis: The title compound crystallizes with a partially ordered Pu₃Pd₅-type structure in space group Cmcm. The 8f and 4c positions are statistically occupied by Ga and Sn atoms, while the 8g position is occupied overwhelmingly by Sn atoms.

Formula: Sm₃Ga_1.89Sn_3.11

Online 8 November 2003

 

Acta Cryst. (2003). C59, i128-i130  [ doi:10.1107/S0108270103021395 ]

A ferroelectric barium titanate, BaTi₂O₅

T. Kimura, T. Goto, H. Yamane, H. Iwata, T. Kajiwara and T. Akashi

Synopsis: The crystal structure of a barium titanate that had been reported previously in the centrosymmetric space group C2/m was found to be non-centrosymmetric, with space group C2. The present results are in accordance with the recently observed ferroelectricity of this compound.

Formula: BaTi₂O₅

Online 8 November 2003

 

Acta Cryst. (2003). C59, i131-i132  [ doi:10.1107/S0108270103024806 ]

Lanthanum indium oxide from X-ray powder diffraction

H. M. Park, H. J. Lee, S. H. Park and H. I. Yoo

Synopsis: LaInO₃, a promising ion conductor for a holistic solid oxide fuel cell, was synthesized by a solid-state reaction method. The structure was refined by the Rietveld method using X-ray powder diffraction data. The structure of LaInO₃ is distorted by the in-phase and antiphase tilting of oxygen octahedra in the a⁺b^-b^- system of the InO₆ polyhedra.

Formula: LaInO₃

Online 14 November 2003

 

Acta Cryst. (2003). C59, i133-i135  [ doi:10.1107/S0108270103023035 ]

Vanadate garnet, Ca₂NaMg₂V₃O₁₂

A. Nakatsuka, Y. Ikuta, A. Yoshiasa and K. Iishi

Synopsis: The structure of the vanadate garnet Ca₂NaMg₂V₃O₁₂ is characterized by (Ca,Na)O₈ dodecahedra and MgO₆ octahedra with unusually long shared edges.

Formula: Ca₂NaMg₂V₃O₁₂

Online 30 November 2003

 

Acta Cryst. (2003). C59, i136-i138  [ doi:10.1107/S0108270103025769 ]

Magnesium diiodide, MgI₂

M. A. Brogan, A. J. Blake, C. Wilson and D. H. Gregory

Synopsis: A single-crystal X-ray study has confirmed that MgI₂ is isostructural with CdI₂.

Formula: MgI₂

Online 30 November 2003

 

Acta Cryst. (2003). C59, i139-i140  [ doi:10.1107/S0108270103025277 ]

Superstructure of -phase potassium nitrate

G. Adiwidjaja and D. Pohl

Synopsis: An acentric 2a₀  ×  2b₀  ×  c₀ superstructure of -potassium nitrate has been detected with a CCD area detector.

Formula: KNO₃

Online 30 November 2003

 

Acta Cryst. (2003). C59, m499-m500  [ doi:10.1107/S010827010302362X ]

(⁶-2-Bromo-1,1'-biphenyl)tricarbonylchromium

C. J. Czerwinski, I. A. Guzei, T. J. Cordes, K. M. Czerwinski and N. A. Mlodik

Formula: [Cr(C₁₂H₉Br)(CO)₃]

Online 8 November 2003

 

Acta Cryst. (2003). C59, m501-m504  [ doi:10.1107/S0108270103023618 ]

Two bismuth oxalate hydrates and revision of their chemical formulae

U. Kolitsch

Synopsis: The crystal structures of the two bismuth(III) oxalate hydrates [Bi₂(C₂O₄)₃(H₂O)₄]·4H₂O and [Bi₂(C₂O₄)₃(H₂O)₄]·2H₂O are both based on three-dimensional networks of nine-coordinated Bi atoms, connected by tetradentate oxalate groups. The ligand and `free' water molecules are located in channels and voids.

Formula: [Bi₂(C₂O₄)₃(H₂O)₄]·2H₂O and [Bi₂(C₂O₄)₃(H₂O)₄]·4H₂O

Online 8 November 2003

 

Acta Cryst. (2003). C59, m505-m508  [ doi:10.1107/S0108270103023175 ]

Group 2 metal salts of pyromellitic acid: [Mg(H₂O)₆](C₁₀H₄O₈) and [Ba(C₁₀H₄O₈)(H₂O)₅]

S. H. Dale, M. R. J. Elsegood and S. Kainth

Formula: [Mg(H₂O)₆](C₁₀H₄O₈) and [Ba(C₁₀H₄O₈)(H₂O)₅]

Online 8 November 2003

 

Acta Cryst. (2003). C59, m509-m511  [ doi:10.1107/S0108270103023151 ]

catena-Poly[potassium [copper(II)--isothiocyanato--N-salicylidene--alaninato(2-)]]

J. Marek, J. Vanco and O. Svajlenová

Formula: K[Cu(NCS)(C₁₀H₉NO₃)]

Online 8 November 2003

 

Acta Cryst. (2003). C59, m512-m515  [ doi:10.1107/S0108270103021061 ]

The effects of substitution on tetrakis(substituted imidazole)copper(II) trifluoromethanesulfonates

H.-Y. Wang, S.-J. Liu, R.-J. Wang and C.-C. Su

Formula: [Cu(C₄H₆N₂)₄](CF₃SO₃)₂ and [Cu(C₆H₁₀N₂)₄(H₂O)](CF₃SO₃)₂

Online 8 November 2003

 

Acta Cryst. (2003). C59, m516-m518  [ doi:10.1107/S0108270103024338 ]

trans-Diaquabis(1H-imidazole-4,5-dicarboxylate-²N³,O⁴)manganese(II)

C.-B. Ma, F. Chen, C.-N. Chen and Q.-T. Liu

Formula: [Mn(C₅H₃N₂O₄)₂(H₂O)₂]

Online 8 November 2003

 

Acta Cryst. (2003). C59, m519-m522  [ doi:10.1107/S010827010302403X ]

Di--cyanato-bis[(cyanato-N)(tetramethylethylenediamine-²N,N')copper(II)] and catena-poly[[₃-cyanato-³O:N:N-bis[(cyanato-N)(1,3-diaminopropane-²N,N')copper(II)]]-₃-cyanato-³N:N:O]

J. Luo, X.-G. Zhou, L.-H. Weng and X.-F. Hou

Formula: [Cu₂(NCO)₄(C₆H₁₆N₂)₂] and [Cu(NCO)₂(C₃H₁₀N₂)]

Online 8 November 2003

 

Acta Cryst. (2003). C59, m523-m525  [ doi:10.1107/S0108270103023631 ]

Bis(di-2-pyridylphosphinato-³N,O,N')copper(II) dichloromethane disolvate

M.Y.-N. Chiang, J.-Y. Wu, W.-F. Zeng and D.-J. Xu

Formula: [Cu(C₁₀H₈N₂O₂P)₂]·2CH₂Cl₂

Online 8 November 2003

 

Acta Cryst. (2003). C59, m526-m529  [ doi:10.1107/S0108270103024272 ]

Isomorphous dichloro- and dibromo(2-methyl-2-phenylpropyl)phenylstannane, both displaying the same intramolecular - interaction at 120  K

J. A. S. Bomfim, C. A. L. Filgueiras, R. A. Howie, J. M. S. Skakle and J. L. Wardell

Formula: [SnCl₂(C₆H₅)(C₁₀H₁₃)] and [SnBr₂(C₆H₅)(C₁₀H₁₃)]

Online 8 November 2003

 

Acta Cryst. (2003). C59, m530-m532  [ doi:10.1107/S0108270103021516 ]

-3,4'-Bi-1,2,4-triazole-di--chloro-cuivre(II) monohydraté

F. Guédira, M. S. Idrissi, H. Krautscheid and L. El Ammari

Formula: [CuCl₂(C₄H₄N₆)]·H₂O

Online 14 novembre 2003

 

Acta Cryst. (2003). C59, m533-m536  [ doi:10.1107/S0108270103023370 ]

trans-Cyano(6-methyl-1,4,8,11-tetraazacyclotetradecan-6-amine)cobalt(III) bis(perchlorate) hydrate and trans-hydroxo(6-methyl-1,4,8,11-tetraazacyclotetradecan-6-amine)cobalt(III) bis(perchlorate)

P. V. Bernhardt and B. P. Macpherson

Formula: [Co(CN)(C₁₁H₂₇N₅)](ClO₄)₂·H₂O and [Co(OH)(C₁₁H₂₇N₅)](ClO₄)₂

Online 14 November 2003

 

Acta Cryst. (2003). C59, m537-m539  [ doi:10.1107/S0108270103023709 ]

Di--benzoato-bis[dicarbonyl(pyridine)ruthenium(I)] (new polymorph) and di--trifluoroacetato-bis[dicarbonyl(pyridine)ruthenium(I)]

G. B. Deacon, P. Pearson, B. W. Skelton, L. Spiccia and A. H. White

Formula: [Ru₂(C₇H₅O₂)₂(C₅H₅N)₂(CO)₄] and [Ru₂(C₂F₃O₂)₂(C₅H₅N)₂(CO)₄]

Online 14 November 2003

 

Acta Cryst. (2003). C59, m540-m542  [ doi:10.1107/S0108270103023643 ]

{[Ca₅(C₈H₄O₄)₅(H₂O)₉]·8H₂O}_n: the first crystallographically characterized non-transition metal salt of isophthalic acid

S. H. Dale and M. R. J. Elsegood

Formula: [Ca₅(C₈H₄O₄)₅(H₂O)₉]·8H₂O

Online 30 November 2003

 

Acta Cryst. (2003). C59, m543-m545  [ doi:10.1107/S0108270103025599 ]

Alendronate zwitterions bind to calcium cations arranged in columns

D. Fernández, D. Vega and A. Goeta

Formula: Ca²⁺·2C₄H₁₂NO₇P₂^-

Online 30 November 2003

 

Acta Cryst. (2003). C59, m546-m548  [ doi:10.1107/S0108270103025447 ]

catena-Poly[[trans-bis(ethane-1,2-diamine-²N,N')copper(II)]--dithionato-²O:O'] and trans-diaquabis(propane-1,3-diamine-²N,N')copper(II) dithionate

Y. Kim, B. W. Skelton and A. H. White

Formula: [Cu(S₂O₆)(C₂H₈N₂)₂] and [Cu(C₃H₁₀N₂)₂(H₂O)₂](S₂O₆)

Online 30 November 2003

 

Acta Cryst. (2003). C59, m549-m551  [ doi:10.1107/S010827010302376X ]

A magnesium-bis(diaryldiketiminate) complex

A. R. Kennedy and F. S. Mair

Formula: [Mg(C₂₃H₂₉N₂)₂]

Online 30 November 2003

 

Acta Cryst. (2003). C59, m552-m554  [ doi:10.1107/S010827010302585X ]

Intermolecular interactions in N-(ferrocenylmethyl)anthracene-9-carboxamide

J. F. Gallagher, P. N. Kelly, P. T. M. Kenny and A. J. Lough

Formula: [Fe(C₅H₅)(C₂₁H₁₆NO)]

Online 30 November 2003

 

Acta Cryst. (2003). C59, m555-m557  [ doi:10.1107/S0108270103025678 ]

Bis[(2,2-dimethyl-1,3-propanediamine-²N,N')(piperidine-2-carboxylato-²N,O)platinum(II)] sulfate

R. Song, K. M. Kim and Y. S. Sohn

Formula: [Pt(C₆H₁₀NO₂)(C₅H₁₄N₂)]₂(SO₄)

Online 30 November 2003

 

Acta Cryst. (2003). C59, m558-m560  [ doi:10.1107/S0108270103025836 ]

[N,N'-Bis(3-aminopropyl)ethylenediamine-⁴N,N',N'',N'''](trithiocyanurato-²N,S)zinc(II) ethanol solvate

J. Marek, P. Kopel and Z. Trávnícek

Formula: [Zn(C₈H₂₂N₄)₂(C₃HN₃S₃)]·C₂H₆O

Online 30 November 2003

 

Acta Cryst. (2003). C59, m561-m564  [ doi:10.1107/S0108270103025691 ]

Two new soluble iron-oxo complexes: [Fe₂(-O)(-O₂CCF₃)₂(O₂CCF₃)₂(C₁₀H₈N₂)₂] and [Fe₄(₃-O)₂(-O₂CCF₃)₆(O₂CCF₃)₂(C₁₀H₈N₂)₂]·CF₃CO₂H

J. Bacsa, H.-H. Zhao and K. R. Dunbar

Formula: [Fe₂O(CF₃CO₂)₄(C₁₀H₈N₂)₂] and [Fe₄O₂(CF₃CO₂)₈(C₁₀H₈N₂)₂]·C₂F₃O₂H

Online 30 November 2003

 

Acta Cryst. (2003). C59, o659-o660  [ doi:10.1107/S0108270103022698 ]

Dicyano{[(1S)-(1-phenylethyl)aziridin-2-yl]methanolato-²N,O}boron

Y. Dong, H. Yun, C. S. Park, W. K. Lee and H.-J. Ha

Formula: C₁₃H₁₄BN₃O

Online 8 November 2003

 

Acta Cryst. (2003). C59, o661-o663  [ doi:10.1107/S0108270103023710 ]

Head-to-head dimers in the zwitterion of 1-hydroxy-1-phosphono-3-(1-piperidino)propylidene-1-phosphonate (PHPBP)

D. Fernández and D. Vega

Formula: C₈H₁₉NO₇P₂

Online 8 November 2003

 

Acta Cryst. (2003). C59, o664-o665  [ doi:10.1107/S0108270103023655 ]

Redetermination of sperminium tetrachloride

I. Pospieszna-Markiewicz and M. Kubicki

Formula: C₁₀H₃₀N₄⁴⁺·4Cl^-

Online 8 November 2003

 

Acta Cryst. (2003). C59, o666-o668  [ doi:10.1107/S0108270103023606 ]

2,2'-Methylenebis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)

J. N. Low, J. Cobo, S. Cruz, J. Quiroga and C. Glidewell

Formula: C₁₇H₂₄O₄

Online 8 November 2003

 

Acta Cryst. (2003). C59, o669-o671  [ doi:10.1107/S0108270103023333 ]

2-Aminobenzimidazolium O-ethyl malonate: eight independent N-HO hydrogen bonds generate sheets

J. N. Low, J. Cobo, R. Abonia, B. Insuasty and C. Glidewell

Formula: C₇H₈N₃⁺·C₅H₇O₄^-

Online 8 November 2003

 

Acta Cryst. (2003). C59, o672-o675  [ doi:10.1107/S0108270103023230 ]

Self-recognition in a flexible bis(pyrrole) Schiff base derivative: formation of a one-dimensional hydrogen-bonded polymer

O. Q. Munro and G. L. Camp

Formula: C₁₃H₁₆N₄

Online 8 November 2003

 

Acta Cryst. (2003). C59, o676-o678  [ doi:10.1107/S0108270103023205 ]

Two biologically active thiophene-3-carboxamide derivatives

Vasu, K. A. Nirmala, A. R. Choudhury, S. Mohan, J. Saravanan and T. Narasimhamurthy

Formula: C₂₃H₂₅N₃OS and C₂₅H₂₇N₃OS

Online 8 November 2003

 

Acta Cryst. (2003). C59, o679-o681  [ doi:10.1107/S0108270103024545 ]

(±)-cis-2-Methyl-4-oxocyclohexanecarboxylic acid: catemeric hydrogen bonding in a -keto acid derived from Hagemann's ester

R. A. Lalancette and H. W. Thompson

Formula: C₈H₁₂O₃

Online 8 November 2003

 

Acta Cryst. (2003). C59, o682-o684  [ doi:10.1107/S0108270103024077 ]

Uncovering stereochemical relations in a compound with a stereogenic N-O axis: methyl 2-(4-methyl-2-thioxo-2,3-dihydrothiazol-3-yloxy)propanoate

J. Hartung, M. Schwarz, I. Svoboda and H. Fuess

Formula: C₈H₁₁NO₃S₂

Online 8 November 2003

 

Acta Cryst. (2003). C59, o685-o686  [ doi:10.1107/S0108270103024569 ]

2-Chloro-4,6-dimethoxy-1,3,5-triazine

N. Fridman, M. Kapon and M. Kaftory

Formula: C₅H₆ClN₃O₂

Online 8 November 2003

 

Acta Cryst. (2003). C59, o687-o689  [ doi:10.1107/S0108270103024570 ]

Derivatives of 2,4-dimethoxy-1,3,5-triazine

N. Fridman, M. Kapon and M. Kaftory

Formula: C₉H₁₄N₄O₃, C₁₂H₁₃N₃O₄ and C₁₈H₁₅N₃O₄

Online 8 November 2003

 

Acta Cryst. (2003). C59, o690-o693  [ doi:10.1107/S0108270103024442 ]

Two derivatives of 5-aminotetrazole: 5-amino-1-phenyltetrazole and 5-amino-1-(1-naphthyl)tetrazole

A. S. Lyakhov, A. N. Vorobiov, P. N. Gaponik, L. S. Ivashkevich, V. E. Matulis and O. A. Ivashkevich

Formula: C₇H₇N₅ and C₁₁H₉N₅

Online 14 November 2003

 

Acta Cryst. (2003). C59, o694-o695  [ doi:10.1107/S0108270103024867 ]

Betainohydroxamic acid chloride

D. Matkovic-Calogovic, E. Besic, M. Birus and M. Gabricevic

Formula: C₅H₁₃N₂O₂⁺·Cl^-

Online 14 November 2003

 

Acta Cryst. (2003). C59, o696-o699  [ doi:10.1107/S0108270103025058 ]

2-Amino-6-(1-imidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine and 2-amino-6-(1-benzimidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine hemihydrate

M. Gdaniec, F. Saczewski and Z. Brzozowski

Formula: C₁₃H₁₈N₈ and C₁₇H₂₀N₈·0.5H₂O

Online 14 November 2003

 

Acta Cryst. (2003). C59, o700-o702  [ doi:10.1107/S0108270103024673 ]

Bis(2,5-dimethoxy-4-methylphenyl)methane and bis(2,5-dimethoxy-3,4,6-trimethylphenyl)methane

D. J. Wiedenfeld, V. N. Nesterov, M. A. Minton and D. R. Glass

Formula: C₁₉H₂₄O₄ and C₂₃H₃₂O₄

Online 14 November 2003

 

Acta Cryst. (2003). C59, o703-o705  [ doi:10.1107/S0108270103023540 ]

3-(4-Chlorobenzoyl)-7-(N,N-dimethylamino)-1-phenylindolizine and 3-(2,4-dichlorobenzoyl)-7-(N,N-dimethylamino)-1-phenylindolizine

R. Hema, V. Parthasarathi, K. Sarkunam, M. Nallu and A. Linden

Formula: C₂₃H₁₉ClN₂O and C₂₃H₁₈Cl₂N₂O

Online 14 November 2003

 

Acta Cryst. (2003). C59, o706-o708  [ doi:10.1107/S0108270103025149 ]

4,4'-Sulfonylbis[N-(4-nitrophenylmethylene)benzenamine]: whole-molecule disorder

P. J. Cox and J. L. Wardell

Formula: C₂₆H₁₈N₄O₆S

Online 30 November 2003

 

Acta Cryst. (2003). C59, o709-o711  [ doi:10.1107/S0108270103023837 ]

Anilinium monohydrogen DL-malate

G. J. Perpétuo and J. Janczak

Formula: C₆H₈N⁺·C₄H₅O₅^-

Online 30 November 2003

 

Acta Cryst. (2003). C59, o712-o714  [ doi:10.1107/S0108270103023503 ]

ap-9-(o-Methylphenyl)-9-fluorenol, a structure exhibiting several aryl-H(arene) intermolecular interactions

C. Y. Meyers, P. D. Robinson and A. W. McLean

Formula: C₂₀H₁₆O

Online 30 November 2003

 

Acta Cryst. (2003). C59, o715-o718  [ doi:10.1107/S0108270103021310 ]

2-Phenylmalonpiperadide and 2-phenylmalonmorpholide

D. E. Lynch, G. E. Spicer and I. McClenaghan

Formula: C₁₉H₂₆N₂O₂ and C₁₇H₂₂N₂O₄

Online 30 November 2003

 

Acta Cryst. (2003). C59, o719-o720  [ doi:10.1107/S0108270103025587 ]

Acetamidoxime

M. M. Olmstead and J. J. Sahbari

Formula: C₂H₆N₂O

Online 30 November 2003

 

Acta Cryst. (2003). C59, o721-o723  [ doi:10.1107/S0108270103025757 ]

A comparison of the ring conformational properties of two derivatives prepared from the same diene diacetate precursor

I. A. Guzei, R. W. Clark, S. D. Burke and W. T. Lambert

Formula: C₂₂H₂₆O₅ and C₂₁H₂₁IO₅

Online 30 November 2003

 

Acta Cryst. (2003). C59, o724-o726  [ doi:10.1107/S010827010302506X ]

Two azasteroidal [3,2-c]pyrazole derivatives: 2'-(p-fluorophenyl)-4-azapyrazolo[4',3':2,3]-5-androstan-17-yl acetate and 2'-(p-fluorophenyl)-4-azapyrazolo[4',3':2,3]-5-androstan-17-ol

S. Thamotharan, V. Parthasarathi, R. Gupta, D. P. Jindal and A. Linden

Formula: C₂₇H₃₄FN₃O₂ and C₂₅H₃₂FN₃O

Online 30 November 2003

 

Acta Cryst. (2003). C59, o727-o729  [ doi:10.1107/S0108270103025903 ]

Dinicotinamidium squarate

A. Bulut, O. Z. Yesilel, N. Dege, H. Icbudak, H. Olmez and O. Buyukgungor

Formula: 2C₆H₇N₂O⁺·C₄O₄^2-

Online 30 November 2003

 

Acta Cryst. (2003). C59, o730-o732  [ doi:10.1107/S0108270103025782 ]

Water polymers in L-alanyl-L-methionine hemihydrate

C. H. Görbitz

Formula: C₈H₁₆N₂O₃S·0.5H₂O

Online 30 November 2003