Acta Crystallographica Section C

Crystal Structure Communications

Volume 55, Part 11 (November 1999)

Cover illustration: trans-Tetrabromobis(3,5-dimethylpyridine)germanium(IV), a non-merohedral twin, see Hensen, Faber & Bolte, pages 1774-1775. Displacement ellipsoids are shown at the 50% probability level.

• cif-access (inorganic compounds)
• cif-access (metal-organic compounds)
• cif-access (organic compounds)
• inorganic compounds
• metal-organic compounds
• organic compounds
• addenda and errata

cif-access (inorganic compounds)

 

Redetermination of Nb₃O₇Cl

J. Kim, Y. Dong and H. Yun

Synopsis: Single crystals of niobium heptaoxide chloride, Nb₃O₇Cl, have been prepared from a halide flux mixture. The structure consists of a three-dimensional network of distorted Nb octahedra coordinated by O and Cl atoms.

Formula: Nb₃O₇Cl

 

BaAg₂

S. K. Kang and G. J. Miller

Synopsis: The title compound, barium disilver, was obtained as a by-product in the reaction of Ba, Ag and Bi mixed in a 2:4:3 molar ratio. This compound adopts the CeCu₂ structure type. The shortest Ag-Ag distance is 2.8653(9)Å.

Formula: BaAg₂

 

Sodium zinc phosphate hydroxide, Na₂Zn(OH)PO₄

H. Y. Ng and W. T. A. Harrison

Synopsis: The structure of Na₂Zn(OH)PO₄ [Kabalov, Simonov & Belov (1972). Dokl. Akad. Nauk SSSR, 202, 823-826] has been redetermined and the hydrogen-bonding geometry elucidated. The tetrahedral ZnO₄ and PO₄ geometrical parameters are normal [d_av(Zn-O) = 1.953 (17) Å and d_av(P-O) = 1.54 (2) Å].

Formula: Na₂Zn(OH)PO₄

cif-access (metal-organic compounds)

 

Tetrachloro(1,2-dimethoxyethane-O,O')titanium(IV)

A. S. Batsanov, J. A. K. Howard, A. K. Hughes and A. J. Kingsley

Synopsis: The octahedral [TiCl₄(dme)] complex (dme is 1,2-dimethoxyethane) has C₂ molecular symmetry and is isostructural with its rhenium and molybdenum analogues.

Formula: [TiCl₄(C₄H₁₀O₂)]

 

fac-Aqua[1,2-bis(diphenylphosphino)ethane-P,P']tricarbonylmanganese tetrafluoroborate (monoclinic form)

T. M. Becker and J. A. Krause Bauer

Synopsis: The title compound, whose aqua ligand is exceedingly labile, crystallizes in a monoclinic form without a solvent molecule of crystallization. A recently observed triclinic form of this complex crystallized as a monohydrate. The Mn-O distance [2.102(3)Å] is consistent with the bond distance reported for the triclinic form [2.075(2)Å] and the related complex [(depe)(CO)₃Mn(OH₂)]BF₄ [2.115(2)Å; depe is 1,2-bis(diethylphosphino)ethane].

Formula: [Mn(C₂₆H₂₄P₂)(CO)₃(H₂O)]BF₄

 

(2,2'-Bipyridyl-N,N')bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionato-O,O')manganese(II) at 173K

M. H. Dickman

Synopsis: The dihedral angles between the phenyl rings and the dionate chelate atoms of the associated six-membered manganese-containing rings are 19.03(15) and 21.08(13)°.

Formula: [Mn(C₁₀H₆F₃O₂)₂(C₁₀H₈N₂)]

cif-access (organic compounds)

 

1,5-Diphenylpentane-2,4-dione and 1,5-bis(2-naphthyl)pentane-2,4-dione

J. T. Pulkkinen and M. J. Ahlgrén

Synopsis: Both title compounds, 1,5-diphenylpentane-2,4-dione, (1), and 1,5-bis(2-naphthyl)pentane-2,4-dione, (2), exist in the enol form and have a planar enol ring with a short crystallographically symmetric hydrogen bond. In addition, the molecules possess twofold rotation symmetry so that the ketone and enol functionalities are completely delocalized.

Formula: C₁₇H₁₆O₂ and C₂₅H₂₀O₂

 

5-Hydroxy-1-phosphabicyclo[3.3.1]nonane P-sulfide

B. Ziemer and B. Krauss

Synopsis: The title compound adopts a chair-chair conformation in the solid state. It does not have effective mirror symmetry because the H atom of the hydroxy group lies markedly out of the mean plane of the central OC₂PS unit.

Formula: C₈H₁₅OPS

 

cis-1-Phosphabicyclo[4.3.0]nonane P-sulfide

B. Krauss and B. Ziemer

Synopsis: In the title compound, the six-membered ring adopts a chair conformation and the five-membered ring an envelope conformation. The two crystallographically independent molecules are insignificantly different.

Formula: C₈H₁₅PS

 

ap-9-(o-Isopropylphenyl)-9-fluorenol

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

Synopsis: The title compound was found to exist solely as its ap rotamer in both the crystalline form and in solution, the exhibited structural distortions being reflected in the observed rotational hindrance. The more sterically restricted 9-(o-tert-butylphenyl)-9-fluorenol exists solely as its sp rotamer under these conditions.

Formula: C₂₂H₂₀O

 

ap-9-(o-Isopropylphenyl)-9-fluorenyl peroxide

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

Synopsis: The centrosymmetry of the title compound results in parallelism of the phenyl as well as the fluorene planes. The phenyl planes are nearly perpendicular to their respective fluorene planes and each isopropyl group almost impinges on its fluorene plane, imposing substantial angular distortion.

Formula: C₄₄H₃₈O₂

 

(+)-(2S,3S,4S,5S,R_S)-4-Hydroxy-2-{N-[(R)-1-Hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoylmethyl}-3-methyl-1-azabicyclo[3.3.0]octane at 153K

T. Heinrich, M. Reggelin and J. W. Bats

Synopsis: The title structure was determined at 153K to establish the absolute configuration of the chiral centers. The N atom of the pyrrolizidine group is pyramidal. Both five-membered rings have approximate twist conformations, with pseudo-twofold axes passing through the N atom. The crystal packing shows intermolecular O-HO, O-HN and C-HO hydrogen bonds.

Formula: C₂₁H₃₄N₂O₃S

 

4-Hydroxyisochroman-3-one

A. J. Kresge, A. J. Lough and V. V. Popik

Synopsis: The structure of the title substance was determined in order to ascertain whether it or the isomeric 1,3-dihydrobenzo[c]furan-1-carboxylic acid is produced on photolysis of 4-diazoisochroman-3-one in aqueous solution.

Formula: C₉H₈O₃

 

1,3-Dihydrobenzo[c]thiophene-1-carboxylic acid

A. J. Kresge, A. J. Lough and V. V. Popik

Synopsis: The structure determination of the title substance was undertaken in order to ascertain whether it or the isomeric compound 4-hydroxyisothiochroman-3-one is produced on photolysis of 4-diazoisothiochroman-3-one in aqueous solution.

Formula: C₉H₈O₂S

 

2-Hydroxy-N-methylcyanoacetamide

A. J. Kresge, A. J. Lough and V. V. Popik

Synopsis: The structure of the title substance was determined in order to ascertain whether it or the isomeric compound 2-(N-methylamino)cyanoacetic acid is produced by photolysis of 2-diazo-N-methylcyanoacetamide.

Formula: C₄H₆N₂O₂

 

(1,3-Diphenylpropene-1,3-diolato)(naphthalene-2,3-diolato)boron

H. C. Lim, T. Y. Tou, S. W. Ng, Y.-Q. Huang, S.-Z. Hu, P. Rapta, Y. L. Chow and J.-I. Ishiyama

Synopsis: The B atom in the title compound is chelated by the 1,3-diphenylpropene-1,3-dionate [B-O 1.363(3) and 1.370(3)Å] and naphthalene-2,3-diolate [B-O 1.298(3) and 1.309(3)Å] groups; the two chelate rings are orthogonal to one another [dihedral nobreak angle 89.9(1)Å].

Formula: C₂₅H₁₇BO₄

 

A triclinic polymorph of (R,R)-(-)-trans-1,4-dioxaspiro[4,5]decane-2,3-diylbis(diphenylmethanol)

H. Hamazaki, H. Hosomi and S. Ohba

Synopsis: The title compound is a polymorph (Z = 2, space group P1) of the orthorhombic form reported by Toda, Tanaka, Miyamoto, Koshima, Miyahara & Hirotsu [J. Chem. Soc. Perkin Trans. 2 (1997), pp. 1877-1885]. There is an intramolecular O-HO hydrogen bond in each molecule, with the second hydroxy group free and not participating in hydrogen bonding.

Formula: C₃₄H₃₄O₄

 

2-Methyl-7-nitro-4H-3,1-benzoxazin-4-one

A. Yu. Kovalevsky and I. I. Ponomarev

Synopsis: The title molecule is approximately planar, with the nitro group strongly conjugated with the -system. Ab initio calculations indicate that the distortion of the exo angles of the cyclic C(Ar)-C(=O)-O fragment arises from intramolecular rather than intermolecular effects.

Formula: C₉H₆N₂O₄

inorganic compounds

 

Diammonium titanium pentafluoride, (NH₄)₂TiF₅, containing Ti³⁺

M. Dadachov and L. Eriksson

Synopsis: The title compound consists of parallel infinite chains of trans-corner-connected TiF₆ octahedra along the b axis, separated from each other by NH₄⁺ ions.

Formula: (NH₄)₂TiF₅

 

Silver-ion conduction pathways in Ag₅IP₂O₇

S. Adams and A. Preusser

Synopsis: All the Ag⁺ ions in Ag₅IP₂O₇ are coordinated by both oxide and iodide, ruling out the hypothesis of purely iodide-coordinated conduction pathways in this Ag⁺ ionic conductor.

Formula: Ag₅IP₂O₇

 

Cadmium sodium trivanadate

L. El Ammari, M. Azrour, W. Depmeier, K.-F. Hesse and B. Elouadi

Synopsis: Cd_3.23Na_1.41V_0.36(VO₄)₃ crystallizes with monoclinic symmetry. The structure is built up from infinite chains of MO₆ (M = Cd, V and Na) octahedra linked by VO₄ tetrahedra. The structure has tunnels running along the c axis.

Formula: Cd_3.23Na_1.41V_0.36(VO₄)₃

 

fac-Triaquatrichloroindium(III)

D. R. Aris, W. Errington and G. R. Willey

Synopsis: The structure of the title compound features In atoms in a distorted fac-octahedral geometry and involves a three-dimensional network of intermolecular hydrogen bonding. It is the first structurally characterized example of a discrete trihydrate of a Group 13 M^III halide (M = B, Al, Ga or In).

Formula: [InCl₃(H₂O)₃]

 

Rb₂MoS₄

J. Ellermeier, C. Näther and W. Bensch

Synopsis: Rb₂MoS₄ crystallizes in the -K₂SO₄ type. The structure contains tetrahedral MoS₄^2- anions connected via Rb⁺ cations.

Formula: Rb₂MoS₄

 

Manganese-rich natural Franklinite

A. C. Doriguetto and N. G. Fernandes

Synopsis: The almost normal spinel structure for Mn-rich natural Franklinite has been confirmed. The best cation distribution was determined to be (Zn_0.65(1)Mn_0.35(1))[Fe₂]O₄.

Formula: (Zn_0.65Mn_0.35)Fe₂O₄

 

Tl₂MoO₄ at 350K

K. Friese, G. Madariaga and T. Breczewski

Synopsis: The structure of Tl₂MoO₄ is isostructural with glaserite. The Mo atom is tetrahedrally coordinated by O atoms, and the three independent Tl⁺ ions are coordinated by six, nine and 12 O atoms, respectively.

Formula: Tl₂MoO₄

 

Orthorhombic InFe_0.33Ti_0.67O_3.33

Y. Michiue, F. Brown, N. Kimizuka, M. Watanabe, M. Orita and H. Ohta

Synopsis: The title compound is closely related to InFeO₃, consisting of alternating layers of InO₆ octahedra and FeO₅ trigonal bipyramids. According to substitution of Ti⁴⁺ for Fe³⁺, excess O atoms are introduced into the Fe-O trigonal lattice plane of InFeO₃.

Formula: InFe_0.33Ti_0.67O_3.33

 

Refinement of CaBa₂(HPO₄)₂(H₂PO₄)₂

L. Ben Tahar, L. Smiri and A. Driss

Synopsis: The structure of CaBa₂(HPO₄)₂(H₂PO₄)₂ consists of infinite [Ca(HPO₄)₂(H₂PO₄)₂] anionic chains, built up from CaO₆, HPO₄ and H₂PO₄ polyhedra linked via Ca-O-P bonds. These chains are held together by nine-coordinate Ba²⁺ cations. A two-dimensional network of hydrogen bonds contributes to the linkage of these chains.

Formula: CaBa₂(HPO₄)₂(H₂PO₄)₂

metal-organic compounds

 

Yttrium sodium oxalate tetrahydrate, [Y(H₂ O)]Na(C₂O₄)₂^.3H₂O

T. Bataille and D. Louër

Synopsis: The structure of yttrium sodium oxalate tetrahydrate consists of corrugated layers of ninefold-coordinated Y atoms linked together by oxalate groups. Na atoms and water molecules are intercalated between the layers.

Formula: [Y(H₂O)]Na(C₂O₄)₂3H₂O

 

1,1'-Diacetylferrocene bis(thiosemicarbazone) monohydrate

W. Xiao, Z.-L. Lu, R.-Y. Li, C.-Y. Su, B.-S. Kang, S. Shanmuga Sundara Raj and H.-K. Fun

Formula: [Fe(C₈H₁₀N₃S)₂]H₂O

 

Di--azido-bis{[2-(2-aminoethyl)pyridine-N,N']aquacopper(II)} diperchlorate

I. A. Razak, H.-K. Fun, K. Chinnakali, S. Shanmuga Sundara Raj, J.-C. Liu and X.-Z. You

Formula: [Cu₂(N₃)₂(C₇H₁₀N₂)₂(H₂O)₂](ClO₄)₂

 

(1R,2R)-(-)-[Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine]chloromanganese(III), an (R,R)-Jacobsen catalyst

J. W. Yoon, T.-S. Yoon, S. W. Lee and W. Shin

Formula: [MnCl(C₃₆H₅₂N₂O₂)]

 

Transition metal complexes with pyrazole-derived ligands. X. [Zn(CH₃COO)₂L₂]^.2MeOH (L = 3-amino-5-phenylpyrazole)

Z. K. Jacimovic, Z. D. Tomic, G. A. Bogdanovic, E. Z. Iveges and V. M. Leovac

Formula: [Zn(C₂H₃O₂)₂(C₉H₉N₃)₂]2CH₄O

 

cis-Bis(ethylenediamine)bis(pyridine)nickel(II) dinitrate

M. J. Baldwin and J. A. Krause Bauer

Formula: [Ni(C₂H₈N₂)₂(C₅H₅N)₂](NO₃)₂

 

trans-Tetrabromobis(3,5-dimethylpyridine)germanium(IV), a non-merohedral twin

K. Hensen, A. Faber and M. Bolte

Formula: [GeBr₄(C₇H₉N)₂]

 

Phase transition in bis(ethyldimethylammonium) pentachloroantimonate(III)

M. Bujak and J. Zaleski

Formula: (C₄H₁₂N)₂[SbCl₅]

 

[N-Acetyl-N'-methylureato(2 -)-N,N'](⁵-pentamethylcyclopentadienyl)(triphenylphosphine-P)iridium(III) chloroform solvate

M. B. Dinger, W. Henderson, A. G. Oliver and C. E. F. Rickard

Formula: [Ir(C₁₀H₁₅)(C₄H₆N₂O₂)(C₁₈H₁₅P)]CHCl₃

 

Triaqua(2,2'-bipyridyl-N,N')(thiosulfato-S)nickel(II) dihydrate and triaqua(1,10-phenanthroline-N,N')(thiosulfato-S)nickel(II) monohydrate

E. Freire, S. Baggio, R. Baggio and L. Suescun

Formula: [Ni(S₂O₃)(C₁₀H₈N₂)(H₂O)₃]2H₂O and [Ni(S₂O₃)(C₁₂H₈N₂)(H₂O)₃]H₂O

 

[-Bis(salicylidene)-1,3-propanediaminato]-copper(II)}dibromomercury(II)

F. B. Kaynak, D. Ülkü, O. Atakol and S. Durmus

Formula: [CuHgBr₂(C₁₇H₁₆N₂O₂)]

 

[ReO₂(dppp)₂]I_x[ReO₄]_1-x^.xH₂O^.CH₃OH for x = 0.17 (1), 0.36 (1) and 1 [dppp is 1,3-bis(diphenylphosphino)propane]

L. Suescun, A. W. Mombrú, R. A. Mariezcurrena, C. Kremer, M. Rivero, E. Kremer, S. Domínguez and A. Mederos

Formula: [ReO₂(C₂₇H₂₆P₂)₂]I_x[ReO₄]_1-xxH₂OCH₃OH [x = 0.17 (1), 0.36 (1) and 1]

 

The salt of the di--chloro-bis[tetrachlorozirconium(IV)] anion with protonated 1,3,5-trimethoxybenzene as cation

S. J. Coles, M. B. Hursthouse and D. G. Kelly

Formula: (C₉H₁₃O₃)₂[Zr₂Cl₁₀]

 

[-N,N'-Bis(2-pyridylethyl)oxamide]bis[acetatocopper(II)]

R. H. P. Francisco, M. T. doP. Gambardella, A. M. G. D. Rodrigues, M. de Paula and G. F. de Sousa

Formula: [Cu₂(C₂H₃O₂)₂(C₁₆H₁₆N₄O₂)]

 

Dichlorobis(pyrimidine-N)cobalt(II) and its bromo derivative

D. Hashizume, R. Takayama, K. Nakayama, T. Ishida, T. Nogami, M. Yasui and F. Iwasaki

Formula: [CoCl₂(C₄H₄N₂)₂] and [CoBr₂(C₄H₄N₂)₂]

 

Bis-adduct of trimethylamine with aluminium trichloride

T. Gelbrich, U. Dümichen and J. Sieler

Formula: [AlCl₃(C₃H₉N)₂]

 

A tetranuclear copper(I) cluster complex with a benzeneselenolate ligand, (Me₄N)₂[Cu₄(SePh)₆]^.CH₃OH

X. Jin, K. Tang, Y. Long and Y. Tang

Formula: (C₄H₁₂N)₂[Cu₄(C₆H₅Se)₆]CH₄O

 

Bis(pyrimidine-2-thiolato-N,S)bis(trimethyl phosphite-P)cobalt(III) hexafluorophosphate

Y.-X. Tong, C.-Y. Su, B.-S. Kang, X.-L. Yu and X.-M. Chen

Formula: [Co(C₄H₃N₂S)₂(C₃H₉O₃P)₂]PF₆

 

Bis[2-(1,3-benzothiazol-2-yl)phenolato-O,N]chlorooxorhenium(V)-dichloromethane (1/1.5)

K. Panneerselvam, T.-H. Lu, S.-F. Tung, P. Chattopadhyay, J.-M. Lo and C.-S. Chung

Formula: [Re(C₁₃H₈NOS)₂ClO]1.5CH₂Cl₂

 

(2-Benzoylpyridine-N thiosemicarbazonato-N¹,S)chloronickel(II)

Z.-H. Liu, Y.-J. Liu, C.-Y. Duan and X.-Z. You

Formula: [Ni(C₁₃H₁₁N₄S)Cl]

 

Tris[3,6-bis(2-pyridyl)pyridazine-N¹,N⁶]nickel(II) diperchlorate 0.11-hydrate

J.-S. Wang, C.-F. Sheu and J.-S. Lee

Formula: [Ni(C₁₄H₁₀N₄)₃](ClO₄)₂0.11H₂O

 

Anion-controlled -stacks of (ethylenediamine-N,N')(1,10-phenanthroline-N,N')platinum(II)

M. Kato and J. Takahashi

Formula: [Pt(C₂H₈N₂)(C₁₂H₈N₂)]Cl₂2H₂O and [Pt(C₂H₈N₂)(C₁₂H₈N₂)](PF₆)₂

 

endo-{6,6'-Diethoxy-2,2'-[(R)-propane-1,2-diylbis(nitrilomethylidene)]diphenolato-O,N,N',O'}oxovanadium(IV)

G. Hoshina, M. Tsuchimoto and S. Ohba

Formula: [VO(C₂₁H₂₄N₂O₄)]

 

The first amidozirconium(IV)-porphyrin complex: cis-[bis(trimethylsilyl)amido]chloro(tetraphenylporphyrinato)zirconium(IV)

H.-J. Kim and K. Kim

Formula: [ZrCl(C₄₄H₂₈N₄)(C₆H₁₈NSi₂)]

 

Tetraaqua(1,10-phenanthroline)zinc(II) sulfate dihydrate

C. Zhang, K. Yu, D. Wu and C. Zhao

Formula: [Zn(C₁₂H₈N₂)(H₂O)₄]SO₄2H₂O

 

Chloro(meso-tetrapropylporphyrinato)iron(III)

Y. Ohgo, T. Ikeue and M. Nakamura

Formula: [Fe(C₃₂H₃₆N₄)Cl]

 

N-(Tropon-2-yl)-1,4,7,10-tetraoxa-13-azacyclopentadecane with calcium thiocyanate

K. Kubo, E. Yamamoto, N. Kato and A. Mori

Formula: [Ca(NCS)₂(C₁₇H₂₅NO₅)]

organic compounds

 

1,8-Bis(dimethylamino)naphthalene bis[6-fluoro-2-(trifluoromethyl)-4-quinolinol] acetonitrile solvate

P. Vergeer, H. Kooijman, A. M. M. Schreurs, J. Kroon and E. Grech

Formula: C₁₄H₁₉N₂⁺C₁₀H₄F₄NO^-C₁₀H₅F₄NOC₂H₃N

 

1,8-Bis(dimethylaminomethyl)naphthalene bis(squaric acid) dihydrate

B. Bouma, H. Kooijman, J. Kroon, E. Grech and B. Brzezinski

Formula: 2C₁₆H₂₃N₂⁺C₄O₄^2-2H₂O

 

3'-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)-5-fluorospiro[3H-indole-3,2'-thiazolidine]-2(1H),4'-dione

S. C. Jain, J. Sinha, S. Bhagat, B. R. Babu, S. Bali and W. Errington

Formula: C₂₁H₁₇FN₄O₃S

 

5-Acetoxy-2,3-diphenylisoxazolidine and 5-acetoxy-3-(4-nitrophenyl)-2-phenylisoxazolidine

S. Mukherjee, V. S. Parmar and W. Errington

Formula: C₁₇H₁₇NO₃ and C₁₇H₁₆N₂O₅

 

A new polymorph of sulfathiazole

D. S. Hughes, M. B. Hursthouse, T. Threlfall and S. Tavener

Formula: C₉H₉N₃O₂S₂

 

N-(4-Chlorophenyl)-N-methylcyanamide

I. D. Cunningham, M. E. Light and M. B. Hursthouse

Formula: C₈H₇ClN₂

 

Filic-3-ene, a pentacyclic triterpene from Davallia canariensis

J. González-Platas, C. Ruiz-Pérez, A. G. González, M. Hernández Silva, C. García, M. C. Alfayate and J. Bermejo

Formula: C₃₀H₅₀

 

4,15-Dihydro-3-dehydrosolstitialin A

J. González-Platas, C. Ruiz-Pérez, A. G. González, J. Bermejo and K. Medjroubi

Formula: C₁₅H₂₀O₅

 

11-Carboxylatomethyl-15-carboxymethyl-11,15-diazonia-3,23-dioxa-28-thiatetracyclo[23.2.1.0^4,9.0^17,22]octacosa-4,6,8,17,19,21,25,27-octaene bromide

Y.-H. Zhang, S. Chantrapromma, S. Shanmuga Sundara Raj, H.-K. Fun, Y.-P. Tian, F.-X. Xie and Z.-Y. Chen

Formula: C₂₇H₃₁N₂O₆S⁺Br^-

 

N,N'-Bis(picolinoyl)hydrazine

S. Shao, D. Zhu, Y. Song, X. Z. You, S. Shanmuga Sundara Raj and H.-K. Fun

Formula: C₁₂H₁₀N₄O₂

 

4-Chloro-2-(morpholinomethyl)phenol

H.-K. Fun, S. Shanmuga Sundara Raj, K. Chinnakali, J.-Z. Tian, Z. Shen, J.-Q. Zhang and X.-Z. You

Formula: C₁₁H₁₄ClNO₂

 

5-Nitroisophthalic acid hydrate

A. K. Mahapatra, A. Adak, S. Goswami, G. D. Nigam, K. Chinnakali, S. Shanmuga Sundara Raj, I. A. Razak and H.-K. Fun

Formula: C₈H₅NO₆H₂O

 

(E)-1,2-Bis(3,4-dihydro-1-methoxynaphthalen-2-yl)ethylene

J. K. Ray, S. Gupta, S. Shanmuga Sundara Raj and H.-K. Fun

Formula: C₂₄H₂₄O₂

 

7-Methoxy-2-methylnaphtho[1,2-b]thiophene

J. K. Ray, D. Pan, S. Shanmuga Sundara Raj and H.-K. Fun

Formula: C₁₄H₁₂OS

 

10,11-Dibromo-3,6-ditosyl-3,6-diazabicyclo[6.4.0]dodeca-1(8),9,11-triene

S. Isik, S. Öztürk, H.-K. Fun, E. Agar and S. Sasmaz

Formula: C₂₄H₂₄Br₂N₂O₄S₂

 

C-HO interactions in acenaphthene-5,6-dicarboxylic anhydride

A. C. Blackburn, L. J. Fitzgerald and R. E. Gerkin

Formula: C₁₄H₈O₃

 

Network of C-HO interactions in dimethyl anthracene-1,8-dicarboxylate

W. D. Aumiller and R. E. Gerkin

Formula: C₁₈H₁₄O₄

 

3-(2-Methylphenyl)propanoic acid

R. E. Gerkin

Formula: C₁₀H₁₂O₂

 

2',5'-Dimethylbiphenyl-2-carboxylic acid

R. E. Gerkin

Formula: C₁₅H₁₄O₂

 

Absolute configuration of 2,4,6-tri-tert-butyl-diphenylselenonium-N-toluene-4'-sulfonimide

M. Yasui, H. Taka, T. Shimizu, N. Kamigata and F. Iwasaki

Formula: C₃₁H₄₁NO₂SSe

 

Tetracyclohexyloxaquaterene

R. Pajewski, A. Pecak, R. Ostaszewski and J. Jurczak

Formula: C₄₀H₄₈O₄

 

N-[3-(Cytosin-1-yl)propionyl]-L-isoleucine, a heavily hydrated structure with four cytosine-isoleucine hybrids in the asymmetric unit

M. Doi, K. Tsunemichi, A. Asano, M. Tarui, T. Ishida and M. Shiono

Formula: 4C₁₃H₂₀N₄O₄9.5H₂O

 

Hexamethylenetetramine is a fourfold acceptor of O-HN hydrogen bonds in its 1:2 adduct with 2,2'-biphenol

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

Formula: C₆H₁₂N₄2C₁₂H₁₀O₂

 

The 17-spiro lactide of cortienic acid: a probe for studying the active sites of steroidal receptors

A. J. Mora, B. M. Ramírez, G. Delgado and R. Little

Formula: C₂₃H₃₀O₆

 

1-[(1,3-Dihydro-2-benzothienyl)acetyl]-1H-indole S-oxide

R. L. Luck, D. K. Bates, K. Li and M. Xia

Formula: C₁₈H₁₅NO₂S

 

Hydrogen bonding in two piperidinium derivatives

M. Freytag and P. G. Jones

Formula: C₅H₁₂NO⁺I^- and C₆H₁₄N⁺C₇H₁₂NO₂^-H₂O

 

A rhodanine derivative and its cycloadduct with diphenyl nitrile imine

A. Linden, E. M. A. H. Awad and H. Heimgartner

Formula: C₁₆H₁₁NOS₂ and C₂₉H₂₁N₃OS₂

 

An unexpected oxidation product of -santonin

R. B. Bates, B. L. Malik, S. K. Paknikar, K. J. McClure and M. D. Carducci

Formula: C₁₅H₁₈O₅

 

DL-Cysteine at 298K

P. Luger and M. Weber

Formula: C₃H₇NO₂S

 

1:1 Adducts of 4-picoline with methylcatecholborane and phenylcatecholborane

W. Clegg, A. J. Scott, F. E. S. Souza and T. B. Marder

Formula: C₁₃H₁₄BNO₂ and C₁₈H₁₆BNO₂

 

An o-xylyl cross-bridged 5,12-dioxocyclam

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

Formula: C₁₈H₂₆N₄O₂H₂O

 

Centrosymmetric molecular strings in the hydrogen-bonded structure of 4,4'-bipyridyl-4,4'-thiodiphenol (3/2)

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

Formula: 3C₁₀H₈N₂2C₁₂H₁₀O₂S

 

Self-templating of large rings by small rings in 4,4'-bipyridyl-3,4-dihydroxy-3-cyclobutene-1,2-dione (2/3)

E. J. MacLean, P. S. Wheatley, G. Ferguson and C. Glidewell

Formula: 2C₁₀H₁₀N₂²⁺2C₄HO₄^-C₄O₄^2-

 

A three-dimensional hydrogen-bonded framework in piperazine-3,4-dihydroxy-3-cyclobutene-1,2-dione-water (1/1/2)

E. J. MacLean, P. S. Wheatley, G. Ferguson, C. Glidewell and A. J. Lough

Formula: C₄H₁₂N₂²⁺C₄O₄^2-2H₂O at 100 and 150 K

 

(+)-trans-Pinononic acid: hydrogen-bonding patterns in a non-racemic -keto acid

A. Barcon, A. P. J. Brunskill, H. W. Thompson and R. A. Lalancette

Formula: C₉H₁₄O₃

 

(+)-3-Oxoglycyrrhetinic acid: catemeric hydrogen bonding in a non-racemic triterpenoid diketo acid

A. P. J. Brunskill, H. W. Thompson and R. A. Lalancette

Formula: C₃₀H₄₄O₄

 

(±)-3-Benzoylbicyclo[2.2.1]heptane-2-carboxylic acid: structures and hydrogen-bonding patterns of the di-endo and the 2-endo-3-exo isomers

A. P. J. Brunskill, R. A. Lalancette and H. W. Thompson

Formula: Two isomers of C₁₅H₁₆O₃

 

(+)-cis-Pinonic acid: catemeric hydrogen bonding in a non-racemic -keto acid

R. A. Lalancette, H. W. Thompson and A. P. J. Brunskill

Formula: C₁₀H₁₆O₃

 

N,N'-Bis(3-methoxyphenyl)-1,8:4,5-naphthalenetetracarboximide-trifluoroacetic acid-phenol (1/2.5/0.5)

A. Yu. Kovalevsky, O. V. Shishkin, I. I. Ponomarev and S. V. Shishkina

Formula: C₂₈H₁₈N₂O₆2.5C₂HF₃O₂0.5C₆H₆O

 

N,N'-(Pyridine-2,6-diyl)bis(naphthalenedicarboximide) trifluoroacetic acid monohydrate

A. Yu. Kovalevsky, O. V. Shishkin and I. I. Ponomarev

Formula: C₂₉H₁₅N₃O₄C₂HF₃O₂H₂O

 

2,3-Dihydro-3-methyl-2',4',6'-trinitrospiro[1,3-thiazolotropylium-2,1'-cyclohexadienide]

O. Ya. Borbulevych, O. V. Shishkin, Z. N. Budarina, M. Yu. Antipin and L. P. Olekhnovich

Formula: C₁₄H₁₀N₄O₆S

 

4-Triethylammoniomethyl-1,3-dioxolane-2-spiro-1'-2',4',6'-trinitrocyclohexadienide

O. Ya. Borbulevych, O. V. Shishkin and V. N. Knyazev

Formula: C₁₅H₂₂N₄O₈

 

2-(3,5-Dinitropyridyl-2-oxy)-3,5,7-trimethylcyclohepta-2,4,6-trien-1-one

O. Ya. Borbulevych, S. V. Kurbatov, G. S. Vaslyaeva, M. Yu. Antipin and L. P. Olekhnovich

Formula: C₁₅H₁₃N₃O₆

 

2,2'-Bipyridine-5-sulfonic acid

A. D. Burrows, R. W. Harrington and M. F. Mahon

Formula: C₁₀H₈N₂O₃S

 

1:1 Complexes of chloranilic acid with pyrazine and morpholine: one- and two-dimensional hydrogen-bond networks

H. Ishida and S. Kashino

Formula: C₄H₄N₂C₆H₂Cl₂O₄ and C₄H₁₀NO⁺C₆HCl₂O₄^-

 

1-(2,4-Dinitrophenyl)-3-(2-hydroxyphenyl)-4-methyl-1H-pyrazole

J. Jeyakanthan, D. Velmurugan, S. Selvi and P. T. Perumal

Formula: C₁₆H₁₂N₄O₅

 

4-(1H,3H⁺-1,3-Benzimidazol-2-ylio)pyridine N-oxide dihydrogenphosphate monohydrate

B.-G. Zhang, Y.-J. Liu, S.-H. Gou, C.-Y. Duan and X.-Z. You

Formula: C₁₂H₁₀N₃O⁺H₂PO₄^-H₂O

 

Acetonyldichloro[(Z)-2-chloro-1-methyl-2-phenylethenyl]tellurium(IV)

J. Zukerman-Schpector, R. L. Camillo, J. V. Comasseto, R. L. O. R. Cunha, F. C. D. Lemos and I. Caracelli

Formula: C₁₂H₁₃Cl₃OTe

 

Tetrakis(cyclopropylammonium) cyclotetraphosphate tetrahydrate

E. H. Soumhi, I. Saadoune, A. Driss and T. Jouini

Formula: 4C₃H₈N⁺P₄O₁₂^4-4H₂O

 

Conformational flexibility of carpaine and its hydrobromide derivative

V. Kabaleeswaran, S. S. Rajan, G. N. Krishnakumari and T. R. Govindachari

Formula: C₂₈H₅₀N₂O₄ and C₂₈H₅₂N₂O₄²⁺2Br^-H₂O

 

4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium tetraphenylborate

D.-C. Zhang, L.-Q. Ge, T.-Z. Zhang, Y.-Q. Zhang and K.-B. Yu

Formula: C₁₆H₁₈NO₂⁺C₂₄H₂₀B^-

 

6-Benzylidene-2-(2-chlorophenyl)thiazolo[3,2-b]-1,2,4-triazol-5(6H)-one

S. Özbey, E. Kendi, B. Tozkoparan and M. Ertan

Formula: C₁₇H₁₀ClN₃OS

 

Configurational analysis of 14,14-dimethyl-12-oxatricyclo[9.2.1.0^3,8]tetradeca-3,5,7-trien-13-one

R. Zimmer, G. Zahn, F. A. Khan and H.-U. Reissig

Formula: C₁₅H₁₈O₂

 

2,6-Dimethylspiro[1-oxa-2,5-diazabicyclo[3.3.0]octane-3,1'-cyclohexane]-4,6-dione

D. R. Billodeaux, F. R. Fronczek and Y. Dürüst

Formula: C₁₂H₁₈N₂O₃

 

7-Chloro-(R)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide and 7-chloro-(S)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide

L. Dupont, P. de Tullio, S. Khelili, F. Somers, J. Delarge and B. Pirotte

Formula: (R)- and (S)-C₁₅H₂₀ClN₃O₂S

 

The anomers of 8-aza-7-deaza-2'-deoxyadenosine

F. Seela, M. Zulauf, H. Reuter and G. Kastner

Formula: Two anomers of C₁₀H₁₃N₅O₃

 

4-Phenyl-2,3,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine-1,3-dione

I. Wolska and F. Herold

Formula: C₁₄H₁₄N₂O₂

 

Salannin and 3-deacetylsalannin

V. Kabaleeswaran, S. S. Rajan, G. Gopalakrishnan and T. R. Govindachari

Formula: C₃₄H₄₄O₉ and C₃₂H₄₂O₈

addenda and errata

 

Flemiculosin, a novel chalcone

K. Bhattacharyya, S. K. Mazumdar, G. Bocelli, A. Cantoni, A. B. Ray, P. Khattri and G. Mazumdar

Synopsis: Erratum to Acta Cryst. (1999), C55, 215-217.

Formula: C₁₄H₂₃NO₈

Copyright © International Union of Crystallography
IUCr Webmaster