Acta Crystallographica Section C

Crystal Structure Communications

Volume 55, Part 12 (December 1999)

Cover illustration: Pseudosymmetry with Z' = 4 in 1,3-propanesultone at 100 K, see Billodeaux, Owens, Sayes, Soper & Fronczek, pages 2126-2129. The unit cell of the title compound with H atoms omitted.

• cif-access (inorganic compounds)
• cif-access (metal-organic compounds)
• cif-access (organic compounds)
• inorganic compounds
• metal-organic compounds
• organic compounds
• international union of crystallography

cif-access (inorganic compounds)

 

Potassium borohydride

R. L. Luck and E. J. Schelter

Synopsis: A sodium chloride lattice-type arrangement is obtained for K[BH₄]. The K and B atoms lie on sites with m3m symmetry. The H atoms of the anion are disordered and the freely refined unique B-H distance is 1.09 (1) Å.

Formula: K[BH₄]

 

LaMg₂Ni₉, an example of the new AB₂C₉ structure type

K. Kadir, H. Yamamoto, T. Sakai, I. Uehara, N. Kanehisa, Y. Kai and L. Eriksson

Synopsis: LaMg₂Ni₉, the first member of the AB₂C₉ structure type, related to the PuNi₃ structure, has been refined from single-crystal diffraction data.

Formula: LaMg₂Ni₉

cif-access (metal-organic compounds)

 

Phenylferrocene

H.-J. Fan, M. D. Carducci, C. Grittini, A. Mendoza and D. L. Lichtenberger

Synopsis: The crystal structure of phenylferrocene shows the two cyclopentadienyl (Cp) rings to be parallel to each other and almost eclipsed. The pendant phenyl ring is bonded at a C-C distance of 1.469 (5) Å and the angle between the mean planes of the Cp and phenyl rings is 11.4 (3)°.

Formula: [Fe(C₅H₅)(C₁₁H₉)]

 

Bis[1,1,3,3-tetrabutyl-1,3-bis(2,3-diphenylquinoxaline-6-carboxylato)-1,3-distannoxane]

K. M. Lo and S. W. Ng

Synopsis: In the centrosymmetric complex dimer, the two independent Sn atoms are five-coordinate in C₂SnO₃ geometries [C-Sn_endocyclic-C 140.9 (5)° and C-Sn_exocyclic-C 139.9 (4)°]. Owing to an SnO interaction of 2.779 (6) Å, the geometry of the Sn_endocyclic atoms is distorted towards skew-trapezoidal bipyramidal.

Formula: [Sn₄(C₄H₉)₈(C₂₁H₁₃N₂O₂)₄O₂]

 

Dinitrito(1,10-phenanthroline)copper(II)

G. L. Breneman, C. W. Howald and O. J. Parker

Synopsis: Green [Cu(NO₂)₂(phen)] contains six-coordinate copper(II) with a distorted tetragonal [Cu^IIN₂O₄] core. The nitrito ligands are bonded to copper using both O atoms [Cu-O 1.999(3) and 2.056 (2) Å, and longer Cu-O 2.470 (3) and 2.396 (3) Å]. The Cu-N distances are 1.995 (3) and 2.021 (2) Å.

Formula: [Cu(NO₂)₂(C₁₂H₈N₂)]

 

Bis(⁵-methylcyclopentadienyl)(piperidine-N)(piperidinido-N)ytterbium

Y. Wang, Y. Yao, Q. Shen and K. Yu

Synopsis: Reaction of (MeC₅H₄)₂YbCl with LiNC₅H₁₀ in toluene affords the neutral title complex, (MeC₅H₄)₂Yb(NC₅H₁₀)(HNC₅H₁₀). The Yb atom is coordinated by two methylcyclopentadienyl rings and two piperidine/piperidinide N atoms to form a distorted tetrahedral geometry.

Formula: [Yb(C₆H₇)₂(C₅H₁₀N)(C₅H₁₁N)]

 

Dichloro(3,4,5,6-tetramethylthio-1,3-benzodithiazole-2-thione-S⁵,S⁶)copper(II)

J. Dai, G.-Q. Bian, M.-Y. Zhou, M. Maekawa and M. Munakata

Synopsis: The copper coordination in the title complex is fundamentally tetragonal, but there are two weak Cu-Cl contacts along the z axis. Thus, the coordination can also be considered as distorted octahedral. Through these contacts, the complex forms a one-dimensional chain structure with CuCu distances of 4.117 (2) and 4.175 (2) Å.

Formula: [Cu(C₁₁H₁₂S₇)Cl₂]

 

Diazidobis(4,4'-di-tert-butyl-2,2'-bipyridine-N,N')manganese(II)

Z. Shen, S. Shanmuga Sundara Raj, I. A. Razak, H.-K. Fun, J.-L. Zuo and X.-Z. You

Synopsis: In the title complex, the N atoms of the 4,4'-di-tert-butyl-2,2'-bipyridine and azide ligands form a distorted octahedron around the Mn^II atom, with the two azide moieties in a cis configuration.

Formula: [Mn(C₁₈H₂₄N₂)₂(N₃)₂]

 

-Acetato--chloro--oxo-bis[dichloro(triphenylphosphine)rhenium] chloroform solvate

C. Powell and A. K. Burrell

Synopsis: The title compound is an example of a crystallographically characterized dirhenium complex. The two independent but similar molecules show Re-Re distances of 2.5160 (3) and 2.5166 (3) Å.

Formula: [Re₂Cl₅O(C₂H₃O₂)(C₁₅H₁₈P)₂]^.CHCl₃

 

[(5RS,9SR)-4,8-Diazaundecane-1,11-diamine](perchlorato-O,O')copper(II) perchlorate

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

Synopsis: The Cu^II ion is six-coordinated in a distorted octahedral environment with bonds to the four N atoms of the tetraamine ligand and two O atoms of the perchlorate ion. The tetradentate ligand is in its stable conformation with the three six-membered rings in chair forms.

Formula: [Cu(ClO₄)(C₉H₂₄N₄)](ClO₄)

cif-access (organic compounds)

 

L-Alanyl-L-leucine hemihydrate

C. H. Görbitz

Synopsis: The crystal structure is different from those of all other dipeptides with two hydrophobic residues. There are thick hydrophobic layers generated by Leu side chains. Solvent water molecules, located on twofold axes, link charged N- and C-terminal groups in pairs of hydrophilic sheets.

Formula: C₉H₁₈N₂O₃^.0.5H₂O

 

Dimethyl 2-(6-benzyloxy-2-methylthiopyrimidin-4-yl)imino-3-(triphenyl-⁵-phosphanylidene)succinate

J. Cobo, S. Molina, A. Sánchez, M. Nogueras and J. N. Low

Synopsis: The title compound has bond lengths which indicate very little delocalization of electronic charge in the pyrimidine ring. Molecules in the structure are linked to form chains in the a direction by C-HO hydrogen bonds [CO 3.196 (2) Å].

Formula: C₃₆H₃₂N₃O₅PS

 

Piperidinium 6-amino-3-methyl-5-nitroso-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ide

J. N. Low, J. Cobo, M. Melguizo, M. Nogueras and A. Sanchez

Synopsis: There are two independent cations and anions in the title compound. The anions are linked by N-HO hydrogen bonds to form infinite chains and the cations are linked to these chains by N-HN hydrogen bonds.

Formula: C₅H₁₂N^+.C₅H₅N₄O₃^-

 

7-(D-arabino-1,2,3,4-Tetraacetoxybutyl)-1-methyl-1,2,3,4-tetrahydropteridine-2,4-dione

J. N. Low, G. Ferguson, J. Cobo, M. Nogueras and A. Sánchez

Synopsis: The conformation and packing of the title compound are determined by N-HO intermolecular hydrogen bonds and C-HO contacts. The two rings of the pteridine moiety are individually essentially planar and are inclined at 4.3 (3)° with respect to one another.

Formula: C₁₉H₂₂N₄O₁₀

 

Two polyacetylated 6-amino-5-[N-(-D-glucopyranosyl)amino]-3-methylpyrimidine-2,4(1H,3H)-diones

J. N. Low, J. Cobo, S. Molina, A. Sánchez, M. Nogueras and G. Ferguson

Synopsis: The relative orientations of the pyrimidine base and pyranoside sugar moieties in C₁₉H₂₆N₄O₁₁^.H₂O, (I), and C₂₃H₃₀N₃O₁₃, (II), are primarily determined by intramolecular N-HO and O-HO hydrogen bonds in (I), and by an N-HO hydrogen bond in (II).

Formula: C₁₉H₂₆N₄O₁₁^.H₂O and C₂₃H₃₀N₄O₁₃

 

Three 3-aryl-5-cyanopyrazolo[3,4-b]pyridines

J. Quiroga, S. Cruz, B. Insuasty, M. Nogueras, A. Sánchez, J. Cobo and J. N. Low

Synopsis: The molecular structures of the 3-aryl-5-cyanopyrazolo[3,4-b]pyridines 2C₂₆H₁₉ClN₄^.C₃H₇NO, (I), and C₂₆H₂₀N₄O, (II), exist in the 2H tautomeric form both in solution and in the crystalline state. The C₂₅H₁₄Cl₂N₄ compound, (III), is shown to be the aromatic crystalline oxidation product of a 2H precursor in solution.

Formula: 2C₂₆H₁₉ClN₄^.C₃H₇NO, C₂₆H₂₀N₄O and C₂₅H₁₄Cl₂N₄

 

Three hydrohalogenides of organic nitrogen bases

A. Faber, A. Lemke, B. Spangenberg and M. Bolte

Synopsis: The structures of 4-methylpyridinium chloride, C₆H₈N^+.Cl^-, (I), 3-methylpyridinium chloride, C₆H₈N^+.Cl^-, (II), and 3-methylpyridinium bromide, C₆H₈N^+.Br^-, (III), have been determined. In all three cases, there is a hydrogen bond between the halogen atom and the protonated N atom. Furthermore, the packing is stabilized by several C-Hhalogen contacts. It is remarkable that neither (II) and (III), nor (I) and 4-methylpyridine hydrobromide are isostructural.

Formula: C₆H₈N^+.Cl^-, C₆H₈N^+.Cl^- and C₆H₈N^+.Br^-

 

3'-(p-Nitrophenyl)-2-phenyl-4'-(p-tolyl)spiro[isoquinoline-3(2H),5'(4'H)-isoxazolin]-4(1H)-one

R. Badri, A. Kerbal, B. Najib, B. El-Bali, J. Escudie, H. Ranaivonjatovo and M. Bolte

Synopsis: The title compound is a cycloaddition product of p-nitrobenzadoxime and N-phenyl-3-tolyolene-4-isoquinolone. It contains an almost planar isoxazoline ring. The C atoms of the isoquinoline moiety lie in a common plane, with the N atom deviating by 0.474 (2) Å from that plane.

Formula: C₃₀H₂₃N₃O₄

 

trans-Bis(4-quinolyl)ethylene

B. Jerdioui, M. Zenkouar, B. El-Bali and M. Bolte

Synopsis: The title compound belongs to the class of styrylquinolines which are of interest because of their photochemical behaviour. The central double bond is trans configured and the two quinoline rings form similar angles with the plane of the double bond.

Formula: C₂₀H₁₄N₂

 

4-Phenylbut-3-en-2-one (benzalacetone)

A. Degen and M. Bolte

Synopsis: The title compound is a nearly planar molecule. The crystal packing is stabilized by intermolecular C-HO hydrogen bonds.

Formula: C₁₀H₁₀O

 

Bis(2-azidoethyl) [(3-methylphenyl)(p-toluenesulfonamido)methyl]phosphonate

J.-N. Zhang, L. Ye, H.-W. Xi and Q. Li

Synopsis: The asymmetric unit contains two independent molecules which are linked by a pair of N-HO hydrogen bonds [NO 2.852 (4) and 2.914 (4) Å]. The two molecules exhibit significant differences in conformation; in one molecule, the 2-azidoethyl groups are far from the shielding area of the -benzene ring and almost vertical to it, while in the other molecule these two -azidoethyl groups are close to the plane of the -benzene ring and approximately parallel to it.

Formula: C₁₈H₂₁N₈O₇PS

 

4-Acetoxy-3,5,6-trimethyl-2-(3-oxobutyl)phenyl 4-nitrobenzoate

C. Prabhakar, K. Vyas, J. Moses Babu, M. R. Sarma and G. Om Reddy

Synopsis: The title compound is a multi-functional compound and potential intermediate for making new molecular entities. The three substituents other than methyl have essentially planar skeletons, each of which is approximately perpendicular to the hexasubstituted aromatic ring.

Formula: C₂₂H₂₃NO₇

 

Celecoxib, a COX-II inhibitor

R. Vasu Dev, K. Shashi Rekha, K. Vyas, S. B. Mohanti, P. Rajender Kumar and G. Om Reddy

Synopsis: Celecoxib {4-[5-(4-methylphenyl)-3-trifluoromethyl-1H-pyrazol-1-yl]benezenesulfonamide} is one of the selective COX-II inhibitors with anti-inflammatory activity. The molecules are connected into a chain by an intermolecular hydrogen bond between the N and O atoms of sulfonamide groups in neighbouring molecules.

Formula: C₁₇H₁₄F₃N₃O₂S

 

An omeprazole impurity

J. Moses Babu, K. Vyas, C. Prabhakar, D. Sreenivas Rao and G. Om Reddy

Synopsis: The title compound, 8-methoxy-1,3-dimethyl-12-thioxopyrido[1',2':3,4]-imidazo[1,2-a][1,3]benzimidazol-2(12H)-one, was isolated during impurity profiling of omeprazole and was crystallized from ethanol. The molecules are essentially planar and show normal van der Waals interactions.

Formula: C₁₆H₁₃N₃O₂S

inorganic compounds

 

A double-layered hydroxide, 3CaO.Al₂O₃.CaI₂.10H₂O

J.-P. Rapin, A. Walcarius, G. Lefevre and M. François

Synopsis: The structure of 3CaO^.Al₂O₃^.CaI₂^.10H₂O, also formulated as Ca₂Al(OH)₆I^.2H₂O, consists of positively charged main layers, [Ca₂Al(OH)₆]⁺, and negatively charged interlayers, [I^-,2H₂O]. The oxygen coordination numbers of the Al³⁺ and Ca²⁺ cations are six and seven, respectively, and all non-H atoms occupy ordered sites.

Formula: Ca₂Al(OH)₆I^.2H₂O

 

KCu₂VSe₄

R. Tillinski, C. Näther and W. Bensch

Synopsis: The structure of KCu₂VSe₄ consists of a network of edge- and corner-sharing [VSe₄] and [CuSe₄] tetrahedra parallel to (010). The layers are separated by K⁺ cations.

Formula: KCu₂VSe₄

 

Ammonium trivanadate(V), NH₄V₃O₈

B.-Z. Lin and S.-X. Liu

Synopsis: The structure of NH₄V₃O₈ consists of vanadium oxide layers and NH₄⁺ cations held together via N-HO hydrogen bonds.

Formula: NH₄V₃O₈

 

The low-temperature tetragonal phase of NiCr₂O₄

G. Ueno, S. Sato and Y. Kino

Synopsis: A normal spinel nickel chromite undergoes a cubic to tetragonal phase transition at low temperature. The structure of the tetragonal phase has been refined using single-crystal X-ray diffraction data.

Formula: NiCr₂O₄ at 200 and 300 K

 

A molecular tetraamminecopper(II)-trans-diamminecopper(II) tetracyanonickelate(II) coordination compound

C. Janiak, H.-P. Wu, P. Klüfers and P. Mayer

Synopsis: The title complex is a rare example of a discrete molecular cyano-copper-nickel complex.

Formula: [Ni₄Cu₄(CN)₁₆(NH₃)₁₂]

 

Trierbium digallide trigermanide

R. Welter and G. Venturini

Synopsis: The single-crystal structure determination of Er₃Ga₂Ge₃ (analysed as Er₃Ga_2.21Ge_2.79) is reported. Er₃Ga₂Ge₃ is isotypic with Pu₃Pd₅.

Formula: Er₃Ga_2.21Ge_2.79

 

The solid solution of composition K₂PdBr_2.24Cl_1.76

H. Omrani, R. Welter and R. Vangelisti

Synopsis: The crystal structure refinement of the solid solution of composition K₂PdBr_2.24Cl_1.76, dipotassium bromochloropalladate, which is an isotype of both potassium tetrachloropalladate(II) and potassium tetrabromopalladate(II), is reported.

Formula: K₂PdBr_2.24Cl_1.76

 

Na₂NbO₂AsO₄, a new niobium monoarsenate

K. Hizaoui, N. Jouini, A. Driss and T. Jouini

Synopsis: The structure of disodium dioxoniobium arsenate is built of NbO₆ octahedra and AsO₄ tetrahedra sharing corners to form layers. The Na⁺ cations are located between the layers.

Formula: Na₂NbO₂AsO₄

 

Heteropoly blue Rb_4.4[H_0.6V_0.6Mo₁₂O₄₀]

C. P. Goméz and L. Eriksson

Synopsis: The structure of rubidium tetracontaoxo(hydro)(dodecamolybdo)vanadate tetradecahydrate is built up of heteropolyoxy anions with the general formula XM₁₂O₄₀ (X = V^V and M = Mo^VI or V^IV) that conform with the Keggin family of structures.

Formula: Rb_4.4[H_0.6V_0.6Mo₁₂O₄₀]^.14H₂O

 

Ba₃TaAs₃O displaying the distorted tetrahedral TaAs₃O^6- anion

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

Synopsis: The Ba₃TaAs₃O orthorhombic cell contains pseudo-tetrahedral TaAs₃O^6- anions surrounded by Ba²⁺ cations. This forms a three-dimensional network of interconnected trigonal prisms.

Formula: Ba₃TaAs₃O

 

Na₂Ca₃Ta₂O₉ with a simple stacking of oxygen triangular nets

H. Yamane, H. Takahashi, T. Kajiwara and M. Shimada

Synopsis: Na₂Ca₃Ta₂O₉ exhibits R32 symmetry and contains [Ta₂O₉]^8- face-sharing trigonal prisms. Na and Ca atoms also occupy oxygen trigonal prism sites.

Formula: Na₂Ca₃Ta₂O₉

 

An extreme case of ZnO₆ octahedral distortion in trizinc tris(selenite) hydrate, Zn₃(SeO₃)₃

W. T. A. Harrison

Synopsis: Trizinc tris[trioxoselenate(IV)] hydrate, Zn₃(SeO₃)₃^.H₂O, is built up from a dense network of ZnO₆ octahedra and SeO₃ pyramids, sharing vertices and edges. One of the zinc octahedra is exceptionally distorted with two of its Zn-O bonds longer than 2.48 Å.

Formula: Zn₃(SeO₃)₃^.H₂O

metal-organic compounds

 

trans-Bis(ethylenediamine)dinitrocobalt(III) perchlorate

K. R. Maxcy and M. M. Turnbull

Formula: [Co(NO₂)₂(C₂H₈N₂)₂]ClO₄

 

A redetermination of bis(ethylenediamine-N,N')bis(perchlorato-O)copper(II)

K. R. Maxcy and M. M. Turnbull

Formula: [Cu(ClO₄)₂(C₂H₈N₂)₂]

 

catena-Poly[[[bis(2-pyridyl) ketone-N,N']copper(II)]-di--chloro]

R. A. Mariezcurrena, A. W. Mombrú, L. Suescun, E. Kremer and R. González

Formula: [CuCl₂(C₁₁H₈N₂O)]

 

Tris(1,10-phenanthroline)nickel(II) dinitrate thiourea monohydrate

L. Suescun, A. W. Mombrú and R. A. Mariezcurrena

Formula: [Ni(C₁₂H₈N₂)₃](NO₃)₂^.CH₄N₂S^.H₂O

 

trans-Bis(N-ethylethane-1,2-diamine)dinitronickel(II)

I. R. Laskar, G. Mostafa, D. Das, K. Okamoto and N. R. Chaudhuri

Formula: [Ni(NO₂)₂(C₄H₁₂N₂)₂]

 

Bis(guanidinium) hexachlorostannate(IV)

H. Ishida, Y. Furukawa and S. Kashino

Formula: (CH₆N₃)₂[SnCl₆]

 

Diaquabis(hydrogen phthalato)copper(II), a new phase

B. L. Rodrigues, M. D. D. Costa and N. G. Fernandes

Formula: [Cu(C₈H₅O₄)₂(H₂O)₂]

 

A rhenium(V)-arylimide species incorporating pyridine-2-aldimine chelation

S. Banerjee, S. Bhattacharyya, I. Chakraborty and B. K. Dirghangi

Formula: [Re(C₆H₆N₂)Cl₃(C₁₂H₉ClN₂)]

 

Disodium bis[-2-hydroxy-2-methylpropanoato(2 -)]-O¹,O²:O²;O²:O¹,O²-bis[dioxovanadate(V)] heptahydrate

S. A. Bourne, J. J. Cruywagen and A. Kleinhorst

Formula: Na₂[V₂O₄(C₄H₆O₃)₂]^.7H₂O

 

[trans-Bis(en)dioxoosmium(VI)] trans-bis(en)dioxoosmium(VI)[aqua-¹-sulfato-²-sulfatoiron(II)][diaquabis(¹-sulfato)iron(II)] hexahydrate

R. K. Murmann and C. L. Barnes

Formula: [OsO₂(C₂H₈N₂)₂]₂[Os₂Fe₄(SO₄)₈(C₂H₈N₂)₄(H₂O)₆]^.12H₂O

 

Tricarbonyliron complexes derived from dimethyl 1,3-butadiene-2,3-dicarboxylate: formation of [Fe(CO)₃]₂-dimethyl 1,3-butadiene-2,3-dicarboxylate

P. Kongsaeree, S. Tanboriphan, B. Tarnchompoo and Y. Thebtaranonth

Formula: [Fe(C₈H₁₀O₄)(CO)₃] and [Fe₂(C₈H₁₀O₄)(CO)₆]

 

(Carbonato-O,O')bis(propane-1,3-diyldiamine-N,N')cobalt(III) chloride monohydrate

H.-L. Zhu and X.-M. Chen

Formula: [Co(C₃H₁₀N₂)₂(CO₃)]Cl^.H₂O

 

catena-Poly[[bis(imidazole-N³)cadmium(II)]-bis(-thiocyanato)-S:N;N:S]

H.-J. Chen, G. Yang and X.-M. Chen

Formula: [Cd(SCN)₂(C₃H₄N₂)₂]

 

Copper(I) cyanide-thiomorpholine (3/1)

D. Britton, F. B. Stocker and T. P. Staeva

Formula: [Cu₃(CN)₃(C₄H₉NS)]

 

[Cd(4,4'-bipy)₂(NO₃)₂](2-nitroaniline)₂, a novel two-dimensional lattice inclusion compound

S. D. Huang, B. J. Lewandowski, C. Liu and Y. Shan

Formula: [Cd(NO₃)₂(C₁₀H₈N₂)₂]^.2C₆H₆N₂O₂

 

[1,1'-Bis(diphenylphosphino)ferrocene]trichloro(phenylimido)rhenium(V) dichloromethane solvate

S. W. Lee and N.-S. Choi

Formula: [Re(C₆H₅N)Cl₃(C₃₄H₂₈FeP₂)]^.CH₂Cl₂

 

Carbonyl--dimethylacetylene dicarboxylate and carbonyl--methyltetraolate manganesecobalt complexes

K. Beck, J. A. Krause Bauer and J. J. Alexander

Formula: [MnCo(C₆H₆O₄)(CO)₇] and [MoCo(C₅H₆O₂)(CO)₇]

 

[-Bis(salicylidene)-1,3-propanediaminato]-bis(4-methylpyridine)nickel(II)}dichlorozinc(II)

O. Atakol, F. Ercan, C. Arici, H. Fuess and I. Svoboda

Formula: [NiZnCl₂(C₁₇H₁₆N₂O₂)(C₆H₇N)₂]

 

A three-dimensional framework formed from cadmium(II) cyanide and 1-methylimidazole

S.-S. Yun, Y.-P. Kim and C.-H. Kim

Formula: [Cd₄(CN)₈(C₄H₆N₂)₄]

 

A coordination compound of (-)-ephedrine and palladium(II)

S. Bouquillon, A. du Moulinet d'Hardemare, M.-T. Averbuch-Pouchot, F. Hénin, J. Muzart and A. Durif

Formula: [PdCl(C₁₀H₁₄NO)(C₁₀H₁₅NO)]

 

Di--bromo-bis[bromo(⁶-para-cymene)ruthenium(II)] benzene solvate and di--iodo-bis[(⁶-para-cymene)iodoruthenium(II)] toluene solvate

A. Neels, H. Stoeckli-Evans, L. Plasseraud, E. G. Fidalgo and G. Süss-Fink

Formula: [Ru₂Br₄(C₁₀H₁₄)₂]^.C₆H₆ and [Ru₂I₄(C₁₀H₁₄)₂]^.C₇H₈

 

Polysulfonylamines. CXIV. trans-Dimethyltetrakis(urea-O)tin(IV) bis[di(methanesulfonyl)amidate] acetonitrile monosolvate

A. Wirth, O. Moers, P. G. Jones and A. Blaschette

Formula: [Sn(CH₃)₂(CH₄N₂O)₄](C₂H₆NO₄S₂)₂^.C₂H₃N

 

[2-(2-Pyridyl-N)quinoxaline-N¹]silver(I) nitrate

S. Shanmuga Sundara Raj, H.-K. Fun, X.-F. Chen, X.-H. Zhu and X.-Z. You

Formula: [Ag(C₁₃H₉N₃)]NO₃

 

Dioxobis(8-quinolinolato-N,O)tungsten(VI)

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

Formula: [WO₂(C₉H₆NO)₂]

 

L-Argininium tris(acetato-O,O')dioxouranium(III)-acetic acid-water (1/1/1)

M. Ramos Silva, A. Matos Beja, J. A. Paixão, L. Alte da Veiga and J. Martin-Gil

Formula: (C₆H₁₅N₄O₂)[UO₂(C₂H₃O₂)₃]^.C₂H₄O₂^.H₂O

 

Absolute configuration of exo-syn-syn-dicarbonyl(⁵-cyclopentadienyl)[(1,2,3-)-(1R,2S,3S)-1-phenylbut-2-en-1-yl]molybdenum(II)

A. Kuhl, L. J. Farrugia and P. J. Kocienski

Formula: [Mo(C₅H₅)(C₁₀H₁₁)(CO)₂]

 

A tetracopper(II) complex containing two -oxamidato-dicopper(II) units linked by croconate anions

G. L. Abbati, A. Cornia and A. C. Fabretti

Formula: [Cu₄(C₁₂H₂₄N₄O₂)₂(C₅O₅)₂]^.4H₂O

 

[(2S,4S)-4-Hydroxymethyl-1,3-dioxan-2-yl]ferrocene

J. Chiffre, E. Manoury, J.-C. Daran and G. G. A. Balavoine

Formula: [Fe(C₅H₅)(C₁₀H₁₃O₃)]

 

A long-chain alkyl-tethered Mo₂S₂ core, [Bu₄N]₂[Mo₂(CO)₈(n-C₆H₁₃ S)₂]

Q. Wei, B. Zhuang and J. Chen

Formula: (C₁₆H₃₆N)₂[Mo₂(C₆H₁₃S)₂(CO)₈]

 

Hexaaquazinc(II) bis[N-(4-amino-1-methyl-5-nitroso-6-oxo-1,6-dihydropyrimidin-2-yl)glycinate] dihydrate

P. Arranz-Mascarós, M. L. Godino, R. López, R. Cuesta, C. Valenzuela-Calahorro and D. Martín-Ramos

Formula: [Zn(H₂O)₆](C₇H₉N₅O₄)₂^.2H₂O

 

Bis(2-ethyl-3-hydroxy-4-pyranonato)diiodotin(IV) acetonitrile solvate

Z. Lu, J. Burgess, J. Fawcett and D. R. Russell

Formula: [SnI₂(C₇H₇O₃)₂]^.C₂H₃N

 

(Acetonitrile-N)(⁴-2-methylbuta-1,3-diene)(⁵-pentamethylcyclopentadienyl)ruthenium(II) trifluoromethanesulfonate

C. Gemel, K. Kirchner, R. Schmid and K. Mereiter

Formula: [Ru(C₅H₈)(C₁₀H₁₅)(C₂H₃N)](CF₃SO₃)

 

Ternary lanthanide complexes of hydrotris[3-(2-pyridyl)pyrazol-1-yl]borate (Tp^py) and anionic O,O-bidentate chelates: [Tb(Tp^py)(dbm)₂] and [Eu(Tp^py)(trop)(NO₃)] (Hdbm is dibenzoylmethane and Htrop is tropolone)

M. D. Ward, J. A. McCleverty, K. L. V. Mann, J. C. Jeffery, G. R. Motson and J. Hurst

Formula: [Tb(C₂₄H₁₉BN₉)(C₁₅H₁₁O₂)₂] and [Eu(C₂₄H₁₉BN₉)(C₇H₅O₂)(NO₃)]^.CH₂Cl₂

 

Acetylferrocene thiosemicarbazone

C.-J. Fang, G. Han, Y.-J. Liu, C.-Y. Duan and Q.-J. Meng

Formula: [Fe(C₅H₅)(C₈H₁₀N₃S)]

 

[N,N'-Bis(salicylidene)ethylenediaminato-N,N',O,O']platinum(II)

W. Sawodny, U. Thewalt, E. Potthoff and R. Ohl

Formula: [Pt(C₁₆H₁₄N₂O₂)]

 

Bis[-(hydrogen benzene-1,2-dicarboxylato)-O:O']bis[bis(1,10-phenanthroline-N,N')cobalt(II)] bis(hydrogen benzene-1,2-dicarboxylate) dihydrate

D. Poleti, L. Karanovic, G. A. Bogdanovic and A. Spasojevic-de Biré

Formula: [Co₂(C₈H₅O₄)₂(C₁₂H₈N₂)₄](C₈H₅O₄)₂^.2H₂O

 

Anhydrous polymeric zinc(II) heptanoate

J. Peultier, M. Francois and J. Steinmetz

Formula: [Zn(C₇H₁₃O₂)₂]

 

[Co(phen)(thiourea)(H₂ O)Cl₂]^.thiourea (phen is 1,10-phenanthroline)

L. Suescun, R. A. Mariezcurrena and A. W. Mombrú

Formula: [CoCl₂(C₁₂H₈N₂)(CH₄N₂S)(H₂O)]^.CH₄N₂S

 

Bis[(-O,O'-salicylato)(2,2'-bipyridyl)copper(II)] acetylsalicylic acid dihydrate

P. Lemoine, D. Nguyen-Huy, B. Viossat, J.-M. Léger and A. Tomas

Formula: [Cu₂(C₇H₄O₃)₂(C₁₀H₈N₂)₂]^.C₉H₈O₄^.2H₂O

 

3-Hydroxyphthalide and its adduct with dibutyltin oxide

L. E. Khoo and A. Hazell

Formula: [Sn₄(C₄H₉)₈(C₈H₅O₃)₄(O)₂] and C₈H₆O₃

 

Poly[[tetraaquapraesodymium(III)--(iminiodiacetato-O,O':O':O'',O''':O''')] dichloride hydrate]

J.-R. Li, Z.-M. Wang, C.-H. Yan, L.-P. Zhou and T.-Z. Jin

Formula: [Pr(C₄H₆NO₄)(H₂O)₄]Cl₂^.H₂O

 

Diaqua{hydrogen bis[1-(2-pyridyl)ethanone oximato-N,N']}nickel(II) perchlorate hydrate

A. Pajunen, M. Orama and H. Saarinen

Formula: [Ni(C₇H₈N₂O)(C₇H₉N₂O)(H₂O)₂]ClO₄^.H₂O

organic compounds

 

(E)-3,4-Di-tert-butylhex-3-ene-2,5-dione

O. Klein, I. Dix, H. Hopf and P. G. Jones

Formula: C₁₄H₂₄O₂

 

Polysulfonylamines. CXXI. Three N,N-disulfonylated 1-adamantylamines

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

Formula: C₁₂H₂₁NO₄S₂, C₂₄H₂₉NO₄S₂ and C₁₆H₁₉NO₄S₂

 

An ethyl acetate inclusion complex of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole

Y. Inouye, S. Shimokoshi and Y. Sakaino

Formula: C₂₃H₁₉N₃O₄^.1/3C₄H₈O₂ and C₂₃H₁₉N₃O₄

 

Methyl (R,Z)-(1-phenylethylimino)acetate N-oxide

Y. Inouye and T. Ishimura

Formula: C₁₁H₁₃NO₃

 

Mirror symmetry in 7,9-dibenzyl-1-tert-butoxycarbonyl-1,7,9-triazaspiro[4.5]dec-3-en-2-one

Y. Dong, H. Yun, J.-M. Suh, Y.-G. Ahn and H.-J. Ha

Formula: C₂₆H₃₁N₃O₃

 

2-tert-Butyl-9,10-dibromoanthracene

R. L. Luck and G. D. Mendenhall

Formula: C₁₈H₁₆Br₂

 

The tert-butylammonium perchlorate complex of 2,3-naphtho-18-crown-6 at 115K

C. B. Knobler, E. F. Maverick, K. N. Trueblood and R. M. Weiss

Formula: C₄H₁₂N^+.ClO₄^-.C₂₀H₂₆O₆^.0.25C₄H₈O₂^.0.25CH₂Cl₂

 

8-Chloro-1-methyl-6-phenyl-4H-1,2,4-triazolo[4,3-a][1,4]benzodiazepine dihydrate

D. R. Vega, R. Baggio and S. Russi

Formula: C₁₇H₁₃ClN₄^.2H₂O

 

5-[(Dimethylamino)methyleneamino]-3-methyl-1-phenylpyrazole

R. Moreno-Fuquen, J. Quiroga and B. Insuasty

Formula: C₁₃H₁₆N₄

 

4-(4-Methylphenyl)-3-(4-pyridyl)-1H-1,2,4-triazole-5(4H)-thione

L. Govindasamy, D. Velmurugan, A. Senthilvelan and I.-H. Suh

Formula: C₁₄H₁₂N₄S

 

2-Methyltelluro-N-phenylbenzamide

R. W. Gable, M. J. Laws and C. H. Schiesser

Formula: C₁₄H₁₃NOTe

 

The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone

D. R. Richardson, E. Becker and P. V. Bernhardt

Formula: C₁₂H₁₀N₄O, C₁₃H₁₁N₃O^.H₂O and C₁₁H₉N₃O₂

 

4,4'-Bipyridinium diperchlorate

S. W. Ng

Formula: C₁₀H₁₀N₂^2+.2ClO₄^-

 

3,3,6,6-Tetramethyl-1-trimethylsilyl-3,6-diaza-1,4,5-tricarbaheptaborane(10)

C. Zheng and N. S. Hosmane

Formula: C₁₀H₃₀B₂N₂Si

 

4,6-Diethoxy-1,3,5-triazin-2(1H)-one

M. Greenberg, V. Shteiman and M. Kaftory

Formula: C₇H₁₁N₃O₃

 

Two Schiff base derivatives of 4-amino-3-propyl-1,2,4-triazole-5-thione

R. M. McCarrick, P. J. Squattrito, R. N. Singh, R. N. Handa and S. N. Dubey

Formula: C₈H₁₄N₄S and C₁₃H₁₆N₄OS

 

3,3-Dichloro-1-(p-chlorophenyl)-4-(p-methoxyphenyl)-2-azetidinone

M. Kabak, Y. Elerman, V. Güner, S. Yildirir and T. N. Durlu

Formula: C₁₆H₁₂Cl₃NO₂

 

Five analogs of the active metabolite of leflunomide

S. Ghosh, Y. Zheng and F. M. Uckun

Formula: C₁₁H₉BrN₂O₂, C₁₁H₉FN₂O₂, C₁₁H₉BrN₂O₂, C₁₁H₉ClN₂O₂ and C₁₁H₉FN₂O₂

 

Inhibitor of HIV-1 reverse transcriptase: N'-(5-bromo-2-pyridyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]thiourea

E. A. Sudbeck, J. D. Jennissen, T. K. Venkatachalam and F. M. Uckun

Formula: C₁₆H₁₈BrN₃O₂S

 

rac-(3R,5S)-5-(1-Cyclopropyl-1-methylethyl)-3,5-diphenyl-2,3,4,5-tetrahydrofuran-2-one, a triclinic structure with local monoclinic pseudosymmetry

J. W. Bats, K. Hoyer and J. Mulzer

Formula: C₂₂H₂₄O₂

 

Pseudosymmetry with Z' = 4 in 1,3-propanesultone at 100K

D. R. Billodeaux, C. V. Owens, C. M. Sayes, S. A. Soper and F. R. Fronczek

Formula: C₃H₆O₃S

 

Taraxerol acetate at 100K

D. R. Billodeaux, G. A. Benavides, N. H. Fischer and F. R. Fronczek

Formula: C₃₂H₅₂O₂

 

1-Ethynylcyclohexylammonium acetate

T. Steiner, A. M. M. Schreurs and J. Kroon

Formula: C₈H₁₄N^+.C₂H₃O₂^-

 

Two independent C²₂(20) chains in the hydrogen-bonded structure of 4,4'-biphenol-4,4'-bipyridyl (1/1)

C. Glidewell, G. Ferguson, R. M. Gregson and A. J. Lough

Formula: C₁₂H₁₀O₂^.C₁₀H₈N₂

 

2,2'-Biphenol-1,4-diazabicyclo[2.2.2]octane (2/1), a three-dimensional framework built from O-HO, O-HN, N-HO and C-H(arene) hydrogen bonds

C. Glidewell, G. Ferguson, R. M. Gregson and A. J. Lough

Formula: 2C₁₂H₁₀O₂^.C₆H₁₂N₂

 

Network of C-HO interactions in 4-benzyloxy-3-methoxybenzaldehyde (vanillin benzyl ether)

R. E. Gerkin

Formula: C₁₅H₁₄O₃

 

Hydrogen bonding and C-HO interactions in bis(4-carboxyquinolinium) sulfate monohydrate

A. J. Dobson and R. E. Gerkin

Formula: 2C₁₀H₈NO₂^+.SO₄^2-.H₂O

 

Dicyclohexylammonium trifluoroacetate

S. W. Ng, H.-K. Fun and S. Shanmuga Sundara Raj

Formula: C₁₂H₂₄N^+.C₂F₃O₂^-

 

1,4-Bis(2-hydroxy-5-methylbenzyl)piperazine

M. Kuppayee, D. Kumaran, M. N. Ponnuswamy, M. Kandaswamy, M. J. Violet, K. Chinnakali and H.-K. Fun

Formula: C₂₀H₂₆N₂O₂

 

3-Hydroxy-5-androstane-4,17-dione

L. C. R. Andrade, J. A. Paixão, M. J. de Almeida, E. J. Tavares da Silva, M. L. Sá e Melo and A. S. Campos Neves

Formula: C₁₉H₂₈O₃

 

Triterpenoide. XVII. 3,28-Dimethoxy-3,11,28-trioxo-2,3-seco-18-olean-12-en-2,9-olid

A. Gzella

Formula: C₃₂H₄₆O₇

 

Triterpenoide. XVIII. Kristallstrukturen von 2-Oxo- und 3-Oxo-18-olean-12-en-28-säure-methylestern

A. Gzella

Formula: Zwei isomere von C₃₁H₄₈O₃

 

3,5,5-Triphenyl-4,5-dihydro-1,2,4-oxadiazole

W. Szczepankiewicz, J. Suwinski and J. Slowikowska

Formula: C₂₀H₁₆N₂O

 

2-Tosylaminobenzaldehyde

J. Mahía, M. Maestro, M. Vázquez, M. R. Bermejo, A. M. González and M. Maneiro

Formula: C₁₄H₁₃NO₃S

 

ent-Isocopal-12-ene-15,16-dialdehyde from Spongia officinalis

R. Puliti and C. A. Mattia

Formula: C₂₀H₃₀O₂

 

2-(2-Fluoro-4-nitroanilinoethyl)benzaldehyde and N-(2-fluoro-4-nitrophenyl)-1-methoxy-1,2,3,4-tetrahydroisoquinoline

W. Clegg, M. R. J. Elsegood, S. P. Stanforth, K. A. Hedley, A. L. Stanley, E. S. Raper and J. R. Creighton

Formula: C₁₅H₁₃FN₂O₃ and C₁₆H₁₅FN₂O₃

 

C-H_arene, Csp³-HO=C and O-HO intermolecular interactions in (2R/2S)-3-(3-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid: a meta-tyrosine derivative

J. F. Gallagher and C. Murphy

Formula: C₁₇H₁₅NO₄

 

Decabromodiphenyl ether

J. Eriksson, L. Eriksson and E. Jakobsson

Formula: C₁₂Br₁₀O

 

L-Alanyl-L-phenylalanine-2-propanol (1/2) (-form), L-valyl-L-phenylalanine-2-propanol (1/1) and L-leucyl-L-phenylalanine-2-propanol (1/1) (-form)

C. H. Görbitz

Formula: C₁₂H₁₆N₂O₃^.2C₃H₈O, C₁₄H₂₀N₂O₃^.C₃H₈O and C₁₅H₂₂N₂O₃^.C₃H₈O

 

4,8-Dibenzyl-2',4',6'-trinitrospiro[1,3-dioxaazulenium-2,1'-cyclohexadienide]

O. Ya. Borbulevych, M. Yu. Antipin and L. P. Olekhnovich

Formula: C₂₇H₁₉N₃O₈

 

2-Benzoyl-2-methyl-1,3-dithiane

I. Stahl, I. Schomberg and G. Frenzen

Formula: C₁₂H₁₄OS₂

 

N-Benzyl-N-(2-iodo-4-methylphenyl)cinnamamide and N-benzyl-N-(p-tolyl)cinnamamide

S. Shanmuga Sundara Raj, S. Renganayaki, E. Subramanian and H.-K. Fun

Formula: C₂₃H₂₀INO and C₂₃H₂₁NO

 

rac-5,5'-Bis(2-acetoxypropyl)-2,2'-furil

C. Handrosch, F. W. Heinemann and H. Kisch

Formula: C₂₀H₂₂O₈

 

4-Benzoyl-2-chloro-6-phenylpyrimidine

M. Mukherjee, S. Maiti, M. W. Khan, M. Helliwell and N. G. Kundu

Formula: C₁₇H₁₁ClN₂O

 

A cyclam-like macrocycle side-bridged by a propyl chain

T. J. Hubin, N. W. Alcock and D. H. Busch

Formula: C₁₉H₄₂N₄^2+.Cl^-.I^-.C₄H₁₀O

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