Acta Crystallographica Section C

Crystal Structure Communications

Volume 54, Part 10 (October 1998)

Cover illustration: An Adduct Between Tetraammine(1,10-phenanthroline)ruthenium(II) and Dibenzo-42-crown-14, see Yoon et al., pages 1427-1431. The hydrogen bonding of the ammine ligands with the crown O atoms is shown with displacement ellipsoids plotted at the 30% probability level. Non-ammine H atoms have been omitted for clarity.

• cif-access (metal-organic compounds)
• cif-access (organic compounds)
• inorganic compounds
• metal-organic compounds
• organic compounds

cif-access (metal-organic compounds)

 

Tris(glycine)scandium(III) Triperchlorate: a Space-Group Correction

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

Synopsis: The title complex consists of infinite positively charged [Sc₂(Gly)₆]_n (Gly = glycine) chains and ClO₄^- anions. The Sc³⁺ ions in the [Sc₂(Gly)₆]_n chains are linked by glycine molecules and are octahedrally coordinated by glycine O atoms.

 

Bis(tetraethylammonium) tetra--carbonyl-icosacarbonylhexairondithallate(2 Fe-Fe)(8 Fe-Tl)(2-)

I. Y. Guzman-Jimenez and K. H. Whitmire

Synopsis: This compound belongs to a family of dimeric clusters formed through bonding of electron-rich iron carbonyls to electron-deficient thallium. Pressurization under CO of the thallium-iron carbonyl [Et₄N]₂[Fe₄Tl₂(CO)₁₆] yielded crystals of [Et₄N]₂[Fe₆Tl₂(CO)₂₄], which crystallizes in the orthorhombic centrosymmetric space group Cmca.

cif-access (organic compounds)

 

2-Pyridinecarboxylic Acid

H. Hamazaki, H. Hosomi, S. Takeda, H. Kataoka and S. Ohba

Synopsis: The crystal structure of 2-pyridinecarboxylic acid was redetermined to confirm the space group C2/c. However, a solid-state high resolution ¹⁵N CP-MAS NMR study indicated that neutral molecules and zwitterions are arranged alternately within local non-centrosymmetric domains.

 

sp-9-(o-tert-Butylphenyl)-3-(methylthio)fluorene: a Major Rearrangement Product from the Facile Uncatalyzed Decomposition of ap-9-(o-tert-Butylphenyl)-9-(methylthio)fluorene

P. D. Robinson, Y. Hou and C. Y. Meyers

Synopsis: On short-term heating, highly strained ap-9-(o-tert-butylphenyl)-9-(methylthio)fluorene underwent facile cleavage of the C-S bond. Migration of the methylthio group produced sp-9-(o-tert-butylphenyl)-3-(methylthio)fluorene as the major product. Its structure is much less distorted than that of the ap starting material.

 

trans-(R,R)-2,2'-(Cyclopenta-1,2-diyl)diphenyl Bis[(R)-O-methylmandelate]

V. M. Lynch, R. Apodaca, J. K. Whitesell and M. I. Chou

Synopsis: The title compound crystallizes with two independent molecules per asymmetric unit. The molecules assume slightly different conformations. The crystallographically unique molecules stack in columns along the b axis. Close C-HO contacts are observed between molecules related by a twofold screw axis. The absolute configuration was established by internal comparison with the (R)-(-)-O-methyl mandelic acid moiety.

inorganic compounds

 

Disodium Zinc Pyrophosphate and Disodium (Europium) Zinc Pyrophosphate

F. Erragh, A. Boukhari, A. Sadel and E. M. Holt

Synopsis: Disodium zinc diphosphate may be doped with europium(III) to produce a red-emitting material, Na_1.94Eu_0.02ZnP₂O₇. Determination of the single-crystal X-ray structures of the doped and undoped forms shows them to be isostructural, with Eu^III occupying a site of mm symmetry.

Formula: Na₂ZnP₂O₇ and Na_1.94Eu_0.02ZnP₂O₇

 

KAg₅S₃

M. Emirdag, G. L. Schimek and J. W. Kolis

Synopsis: KAg₅S₃ contains a combination of linear and trigonal planar coordination of Ag by S atoms, resulting in a channeled framework filled with K⁺ cations.

Formula: KAg₅S₃

 

Pentaamminenitrocobalt(III) Dichloride at Pressures of 0.24, 0.52, 1.25, 1.91 and 3.38 GPa

E. V. Boldyreva, H. Ahsbahs, D. Yu. Naumov and A. Kutoglu

Synopsis: The structure of [Co(NO₂)(NH₃)₅]Cl₂ has been refined anisotropically from data collected at 0.24, 0.52, 1.25, 1.91 and 3.38 GPa in a diamond anvil cell. For comparison, the structure of the same crystal in the same diamond anvil cell was also refined at ambient pressure.

Formula: [Co(NO₂)(NH₃)₅]Cl₂

 

(NH₄)Zn₂(PO₄)(HPO₄)

Z. Bircsak and W. T. A. Harrison

Synopsis: This new ammonium zinc phosphate, which is isostructural with KZn₂(PO₄)(HPO₄), consists of corrugated anionic layers of ZnO₄ and PO₄ tetrahedra sharing vertices. Trigonally coordinated O atoms are present in these layers.

Formula: (NH₄)Zn₂(PO₄)(HPO₄)

metal-organic compounds

 

Outer-Sphere Coordination of a Multidentate N-Heterocycle to Tin Through Water: Monoclinic and Triclinic Modifications of -Succinato-bis(aquatriphenyltin)-2,4,6-Tris(2-pyridyl)-1,3,5-triazine (1/2)

S. W. Ng

Formula: [Sn₂(C₄H₄O₄)(C₆H₅)₆(H₂O)₂].2C₁₈H₁₂N₆

 

Metallo-Ligand [Cu^II(carboxylato)₄]²⁺ Cores: Tetrakis(trimethylammonioacetato-O)copper Diperchlorate and its 1/1 Complex with Sodium Perchlorate

S. W. Ng, X.-M. Chen and G. Yang

Formula: [Cu(C₅H₁₁NO₂)₄](ClO₄)₂ and [CuNa(C₅H₁₁NO₂)₄(ClO₄)](ClO₄)₂

 

catena-Poly[(dichlorodimethyltin)--(4,4'-bipyridine-N:N')]

S. W. Ng

Formula: [SnCl₂(CH₃)₂(C₁₀H₈N₂)]

 

Bis[-(di-2-pyridyl ketone thiosemicarbazonato-N¹,N'',S:N')]bis[(isothiocyanato-N)copper(II)] Bis(dimethylformamide) Solvate

C.-Y. Duan, X.-Z. You and T. C. W. Mak

Formula: [Cu₂(NCS)₂(C₁₂H₁₀N₅S)₂].2C₃H₇NO

 

Bis[-(di-2-pyridyl ketone thiosemicarbazonato-N¹,N'',S:N')]bis[(acetato-O)copper(II)] Dimethanol Solvate

C.-Y. Duan, X.-Z. You and T. C. W. Mak

Formula: [Cu₂(C₂H₃O₂)₂(C₁₂H₁₀N₅S)₂].2CH₄O

 

1,4-Dimethylpyridinium (1,3-dithiole-2-thione-4,5-dithiolato)(isothiocyanato)diphenylstannate(1-)

A. Khan, J. N. Low, J. L. Wardell and G. Ferguson

Formula: (C₇H₁₀N)[Sn(NCS)(C₆H₅)₂(C₃S₅)]

 

Tetraethylammonium Bromo(1,3-dithiol-2-one-4,5-dithiolato)diethylstannate(1-)

Z. H. Chohan, J. L. Wardell, J. N. Low, P. R. Meehan and G. Ferguson

Formula: (C₈H₂₀N)[SnBr(C₂H₅)₂(C₃OS₄)]

 

Deca--acetato-di-₄-oxo-tetra(pyridine-N)dimanganese(III)tetramanganese(II) Pyridine Solvate

P. Karsten and J. Strähle

Formula: [Mn₆O₂(C₂H₃O₂)₁₀(C₅H₅N)₄].C₅H₅N

 

Bis(1,8-diazabicyclo[5.4.0]undec-7-en-8-ium) trans-Dichlorotetra(pyridine-N)iron(II) Dichloride

P. Karsten and J. Strähle

Formula: (C₉H₁₇N₂)₂[FeCl₂(C₅H₅N)₄]Cl₂

 

Dichloro(-[18]aneN₂S₄)dipalladium(II) Bis(triiodide)

A. J. Blake, W.-S. Li, V. Lippolis, S. Parsons and M. Schröder

Formula: [Pd₂Cl₂(C₁₂H₂₆N₂S₄)](I₃)₂

 

trans-Dichloro([16]aneS₄)rhodium(III) Pentaiodide Diiodine

A. J. Blake, W.-S. Li, V. Lippolis and M. Schröder

Formula: [RhCl₂(C₁₂H₂₄S₄)](I₅).I₂

 

Ferrocene, Ferrocenium and a Bis(maleonitriledithiolate) Complex of Nickel

M. W. Day, J. Qin and C. Yang

Formula: [Fe(C₅H₅)₂]₂[Ni(C₄N₂S₂)₂]₂.[Fe(C₅H₅)₂]

 

catena-Poly[[(2,3-benzo-1,4,7,10,13-pentaoxacyclopentadec-2-ene-⁵O)potassium]--(picrato-O¹,O²:O⁵)]

W. Dong, R. Yang and K. Yu

Formula: [K(C₆H₂N₃O₇)(C₁₄H₂₀O₅)]

 

A closo-12-Vertex Dinickelaborane: [(⁵-C₅H₅)₂Ni₂B₁₀H₁₀]

J.-M. Dou, C.-H. Hu, J.-M. Gu, Y. Nie, H.-J. Yao, R.-S. Jin and P.-J. Zheng

Formula: [Ni₂(B₁₀H₁₀)(C₅H₅)₂]

 

⁶-Tricarbonylchromium Complexes of Methyl 4,6-O-Benzylidene--D-glucopyranosides

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

Formula: C₁₆H₂₂O₆, [Cr(C₁₆H₂₂O₆)(CO)₃], [Cr(C₁₇H₂₄O₆S)(CO)₃], [Cr(C₂₈H₃₁O₆P)(CO)₃].CH₂Cl₂ and [Cr(C₁₇H₂₄O₇)(CO)₃]

 

Bis(tetraethylammonium) Bis[2-(trifluoroacetylamidato)benzenethiolato(2-)-S,N]nickelate(II)

N. Ueyama, T.-A. Tuji, T.-A. Okamura and A. Nakamura

Formula: (C₈H₂₀N)₂[Ni(C₈H₄F₃NOS)₂]

 

1,1,3,3,14,14,16,16,18,18,29,29-Dodecamethyl-3,14,18,29-tetrasila-1,16-distanna[5.5]ferrocenophane

O. Gausset, G. Delpon-Lacaze, M. Schürmann and K. Jurkschat

Formula: [Fe₂Sn₂(C₉H₁₅Si)₄]

 

An Adduct Between Tetraammine(1,10-phenanthroline)ruthenium(II) and Dibenzo-42-crown-14

D. I. Yoon, S. Bélanger, J. T. Hupp and C. L. Stern

Formula: [Ru(C₁₂H₈N₂)(NH₃)₄](PF₆)₂.C₃₆H₅₆O₁₄.CH₂Cl₂

 

Poly[bis(benzimidazole-N³)copper(II)--acetylenedicarboxylato-O:O'--aqua] and Poly[bis(benzimidazole-N³)copper(II)--aqua--fumarato-O:O']

L. Sieron and M. Bukowska-Strzyzewska

Formula: [Cu(C₄O₄)(C₇H₆N₂)₂(H₂O)] and [Cu(C₄H₂O₄)(C₇H₆N₂)₂(H₂O)]

 

A Dinuclear Vanadyl-Oxalate Compound

L.-M. Zheng, H. W. Schmalle, S. Ferlay and S. Decurtins

Formula: (C₂₄H₂₀P)₂[V₂O₂(C₂O₄)₃(H₂O)₂].8H₂O

 

[2-(2-Acetyl-2-ethoxycarbonyl-1-methoxyethyl)-8-quinolinolato-C,N,O](pyridine-N)palladium(II)

D. R. Billodeaux, F. R. Fronczek, A. Yoneda and G. R. Newkome

Formula: [Pd(C₁₇H₁₇NO₅)(C₅H₅N)]

 

The Inserting Host-Guest System in [N(CH₃)₄]₈[(CH₃COO)V₂₂O₅₄].4.25H₂O

T. Chirayil, P. Y. Zavalij and M. S. Whittingham

Formula: (C₄H₁₂N)₈[V₂₂O₅₄](C₂H₃O₂).4.25H₂O

 

Bis{[2,6-diacetylpyridine bis(2-furoylhydrazone)(1-)]dimethyltin(IV)} trans-Tetrachlorodi-methylstannate(IV)

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

Formula: [Sn(CH₃)₂(C₁₉H₁₆N₅O₄)]₂[SnCl₄(CH₃)₂]

 

Tetracarbonyl[difluoromethylenebis(diisopropoxyphosphine-P)]molybdenum(0)

P. G. Jones

Formula: [Mo(C₁₃H₂₈F₂O₄P₂)(CO)₄]

organic compounds

 

trans-1,3-Diethoxy-5,5-dimethyl-1,3-diphospha-5-silacyclohexane-1,3-dione

P. G. Jones and A. Weinkauf

Formula: C₉H₂₂O₄P₂Si

 

cis- and trans-1,3-Diethoxy-1,3-diphosphorinane-1,3-dione

P. G. Jones and A. K. Fischer

Formula: cis- and trans-C₈H₁₈O₄P₂

 

cis- and trans-3,5-Diethoxy-1-oxa-3,5-diphosphorinane-3,5-dione

P. G. Jones and A. Weinkauf

Formula: cis- and trans-C₇H₁₆O₅P₂

 

X-ray Structure Investigations of Potential -Blockers. III

T. A. Olszak

Formula: C₁₅H₁₆NO₂⁺.Cl^-.H₂O, C₁₆H₁₈NO₃⁺.Cl^- and C₁₅H₁₅N₂O₄⁺.Cl^-

 

2H-1-Benzopyrans. III. 4-Hydroxy-3-methoxycarbonyl-2-dimethoxyphosphoryl-2H-1-benzopyran

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

Formula: C₁₃H₁₅O₇P

 

4-Acetyl-4-methylheptanedinitrile at 173K

M. Bolte, J. Pfizer and B.-S. Weigand

Formula: C₁₀H₁₄N₂O

 

3,3'-(1-Silacyclohexane-1,1-diyl)bis(1-methylimidazolium) Dibromide Acetonitrile Solvate at 173K

K. Hensen, F. Gebhardt and M. Bolte

Formula: C₁₃H₂₂N₄Si²⁺.2Br^-.C₂H₃N

 

3-[(2-Bromo-4-methylphenyl)iminomethyl]-2-hydroxy-5-methylbenzaldehyde

A. Elmali, Y. Elerman and I. Svoboda

Formula: C₁₆H₁₄BrNO₂

 

(1RS,10aRS)-3-Imino-1-(2-thienyl)-1,2,3,9,10,10a-hexahydrophenanthrene-2,2,4-tricarbonitrile

G. E. H. Elgemeie, D. S. Farag and P. G. Jones

Formula: C₂₁H₁₄N₄S

 

3,3'-[Ethane-1,2-diylbis(aminomethylene)]bis(pentane-2,4-dione) and the Nickel(II) Complex of a Condensation Product

B. König, M. Pelka, I. Dix and P. G. Jones

Formula: C₁₄H₂₀N₂O₄ and [Ni(C₁₆H₂₂N₄O₂)].2CDCl₃

 

1,2:4,5-Di-O-isopropylidenegalactitol

B. König, W. Pitsch, I. Dix and P. G. Jones

Formula: C₁₂H₂₂O₆

 

A Tricyclic Trisiladiene

Z. Teng, H. Stoeckli-Evans and R. Keese

Formula: C₃₀H₄₂Si₃

 

4-Cyano-4'-octylbiphenyl

M. Kuribayashi and K. Hori

Formula: C₂₁H₂₅N

 

Complex of (-)-Morphine with -Phenylhydracrylic Acid

M. Lutz and A. L. Spek

Formula: C₁₇H₂₀NO₃⁺.C₉H₉O₃^-

 

N,N'-Bis(2-phenethyl)perylene-3,4:9,10-bis(dicarboximide)

J. Mizuguchi

Formula: C₄₀H₂₆N₂O₄

 

3,6-Bis(4-tert-butylphenyl)-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-1,4-dione

J. Mizuguchi

Formula: C₂₆H₂₈N₂O₂

 

1,3-Diphenylguanidinium Trifluoroacetate

J. A. Paixão, P. S. Pereira Silva, A. Matos Beja, M. Ramos Silva and L. Alte da Veiga

Formula: C₁₃H₁₄N₃⁺.C₂F₃O₂^-

 

(S,S)-trans-2,3-Tetralindiol

M. A. Lloyd, G. E. Patterson and C. P. Brock

Formula: C₁₀H₁₂O₂

 

Bis(diisopropylammonium) Hexafluorosilicate(IV)

G. J. Reiß

Formula: (C₆H₁₆N)₂[SiF₆]

 

2-Oxo-1,2-dihydropyridine-6-carboxylic Acid

K. Sawada and Y. Ohashi

Formula: C₆H₅NO₃

 

4-Chloro-2-{4-[p-(methylsulfonyl)phenyl]-2-oxo-5-phenyl-2,3-dihydro-1,3-oxazol-3-yl}phenyl Acetate

N. N. Tsou, R. G. Ball, P. J. Roy and Y. Leblanc

Formula: C₂₄H₁₈ClNO₆S

 

Methyl 2,6-Dihydroxy-4-(2-hydroxy-4,6-dimethoxy-3-methylbenzoyloxy)-3-methylbenzoate

K. Chantrapromma, R. Sortiruk, S. Chantrapromma, C. Ponglimanont, H.-K. Fun and K. Chinnakali

Formula: C₁₉H₂₀O₉

 

2-Crotonoyl-5,8-dihydro-1-naphthol, (I), and 4-(1-Naphthoyl)-5,8-dihydro-1-naphthol, (II)

K. Chinnakali, H.-K. Fun, K. Sriraghavan and V. T. Ramakrishnan

Formula: C₁₄H₁₄O₂ and C₂₁H₁₆O₂

 

The 3,3,6,6-Tetramethyl cis-transoid-cis-Photocyclodimer of tert-Butyl 2,5-Dihydro-5,5-dimethyl-2-oxo-1H-pyrrole-1-carboxylate

J. Kopf, M. N. Wrobel and P. Margaretha

Formula: C₂₂H₃₄N₂O₆

 

(Z)-5-(2-Naphthylmethylene)-4-oxo-2-thioxo-1,3-thiazolidine-3-acetic Acid Dimethyl Sulfoxide Solvate

D. TranQui, P. Fresneau and M. Cussac

Formula: C₁₆H₁₁NO₃S₂.C₂H₆OS

 

5-Aminoisophthalic Acid Hemihydrate

A. J. Dobson and R. E. Gerkin

Formula: C₈H₇NO₄.0.5H₂O

 

cis-4,6-Dimethyl-2-phenyl-1,3-diselenane

G. Baudoux, B. Norberg, J. Wouters, L. Defrère, A. Krief and G. Evrard

Formula: C₁₂H₁₆Se₂

 

Methylamine and Dimethylamine Salts of the Hydrogen Maleate Ion

D. Madsen and S. Larsen

Formula: CH₆N⁺.C₄H₃O₄^- and C₂H₈N⁺.C₄H₃O₄^-

 

2,8-Dimethylphenoxathiin 10-Oxide

S. R. Bennett, A. R. Kennedy, A. I. Khalaf and R. D. Waigh

Formula: C₁₄H₁₂O₂S

 

2-(Imidazol-1-yl)-1-(2-naphthyl)ethanone Oxime

E. Kendi, S. Özbey, A. Karakurt and S. Dalkara

Formula: C₁₅H₁₃N₃O

 

Tenfold Interpenetration of Giant Hexagonal R¹²₁₂(126) Nets in the Hydrogen-Bonded Structure of 1,1,1-Tris(4-hydroxyphenyl)ethane-4,4'-Bipyridyl (2/3)

A. C. Bényei, P. I. Coupar, G. Ferguson, C. Glidewell, A. J. Lough and P. R. Meehan

Formula: 2C₂₀H₁₈O₃.3C₁₀H₈N₂

 

1,8-Bis(2-thienyl)-1,3,5,7-octatetrayne

A. Sarkar, K. Komatsu, S. Okada, H. Matsuda and H. Nakanishi

Formula: C₁₆H₆S₂

 

2-Chloro-3-cyano-6-phenylpyridine

M. K. Cyrañski and J. Mieczkowski

Formula: C₁₂H₇ClN₂

 

O-HO, C-HO and C-H_arene Intermolecular Interactions in (2R/2S)-2-(1-oxo-1,3-dihydroisoindol-2-yl)-3-phenylpropanoic Acid

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

Formula: C₁₇H₁₅NO₃

 

6-(4-Chlorophenyl)-3-methyl-2,4a-diphenyl-5,6-dihydro-1H,4aH-1,3-oxazino[2,3-d][1,5]benzothiazepin-1-one

J. Xu, S. Jin, Z. Zhang and T. C. W. Mak

Formula: C₃₁H₂₄ClNO₂S

 

New Gastroprokinetic Agent TKS159: 4-Amino-5-chloro-N-[(2S,4S)-1-ethyl-2-hydroxymethyl-4-pyrrolidinyl]-2-methoxybenzamide

T. Adachi, J.-I. Mizoguchi, Y. Hayashi, Y. Yamashoji, N. Kanehisa, Y. Kai and Y. Inoue

Formula: C₁₅H₂₂ClN₃O₃

 

Two Oxazolidinone Derivatives

M. W. Eknoian, T. R. Webb, S. D. Worley, J. R. Fleury and S. D. Maddox

Formula: C₅H₉NO₃ and C₆H₁₁NO₃

 

N-(3-Nitrobenzylidene)-p-phenylenediamine

Q.-C. Yang, Y.-Q. Tang, W.-J. Yang and H.-Y. Chen

Formula: C₁₃H₁₁N₃O₂

 

1,2,3,4,5,6,7,8,9,10-Decahydro-3,3,6,6-tetramethyl-1,8-dioxo-10-vinylacridin-9-ylmethyl Acetate

R. Sankaranarayanan, D. Velmurugan, P. Murugan and N. Ramasubbu

Formula: C₂₃H₃₁NO₄

 

Three Novel Isomeric Pyranocoumarins from Calophyllum teysmannii: Calanone, Isocalanone and Teysmanone A

J. J. Vittal, S.-G. Cao, S.-H. Goh, G.-K. Tan and K.-Y. Sim

Formula: Three isomers of C₂₇H₂₀O₅

 

Thiosemicarbazid-1-ium Dihydrogenphosphate

A. Waskowska

Formula: CH₆N₃S⁺.H₂PO₄^-

 

13H-Dibenzo[a,g]fluoren-13-one

D. G. Morris, K. S. Ryder and R. A. Howie

Formula: C₂₁H₁₂O

 

3-(o-Carboxyphenyl)-1-ethyltriazene 1-Oxide

C. Samanta, A. K. Mukherjee and M. Mukherjee

Formula: C₉H₁₁N₃O₃

 

A Sultone Derived from Racemic Camphene

K. W. Muir, C. S. Rodger, D. G. Morris and K. S. Ryder

Formula: C₁₀H₁₆O₃S

 

Gomisin N

J. Marek and J. Slanina

Formula: C₂₃H₂₈O₆

Copyright © International Union of Crystallography
IUCr Webmaster