Crystal Structure Communications

 

Acta Cryst. (2000). C56, 397-398  [ doi:10.1107/S0108270199013864 ]

Mercury(II) tungstate from neutron powder data

M. B. Åsberg Dahlborg, G. Svensson and T. Ouvarova

Synopsis: The structure of HgWO₄ consists of zigzag chains of edge-sharing WO₆ and HgO₆ octahedra running parallel to the c axis. Hg characteristically forms two short collinear Hg-O bonds.

Formula: HgWO₄

Online April 2000

 

Acta Cryst. (2000). C56, 399-400  [ doi:10.1107/S0108270199014407 ]

Fe₂P₂O₇(H₂O)₂

H. G. Giesber, M. B. Korzenski, W. T. Pennington and J. W. Kolis

Synopsis: The title compound contains iron(II) octahedrally coordinated by diphosphates and water molecules. The octahedra are connected in such a way that they form channels throughout the structure which contain the coordinated water molecules.

Formula: Fe₂P₂O₇(H₂O)

Online April 2000

 

Acta Cryst. (2000). C56, 401-403  [ doi:10.1107/S0108270199015164 ]

Two forms of aluminium phosphate tridymite from X-ray powder data

H. Graetsch

Synopsis: Rietveld refinements of monoclinic and triclinic AlPO₄ tridymites show that their tetrahedral framework structures are isotypic with the silica analogues. The two forms of tridymite differ in distortions of the six-membered rings of tetrahedra, resulting in different superstructures. Both modifications co-exist at room temperature.

Formula: Two forms of AlPO₄

Online April 2000

 

Acta Cryst. (2000). C56, 404-406  [ doi:10.1107/S0108270100000226 ]

Strontium chromium(II) diphosphate, SrCrP₂O₇

K. Maaß and R. Glaum

Synopsis: SrCrP₂O₇ belongs to the structure family of -Ca₂P₂O₇. It consists of a three-dimensional network of [SrO₉], [CrO₅] and [P₂O₇] groups. Lattice constants of the whole series of isotypic compounds SrMP₂O₇ (M²⁺ = Cr, Zn or Cd) are compared with respect to the electronic configuration of M²⁺.

Formula: SrCrP₂O₇

Online April 2000

 

Acta Cryst. (2000). C56, 407-411  [ doi:10.1107/S0108270199015632 ]

The sodium salt of a tris(tridentate anion)gadolinium(III) complex: pentasodium bis[chelidamato(3-)][chelidamato(2-)]gadolinate(III) hexadecahydrate

A. K. Hall, J. M. Harrowfield, B. W. Skelton and A. H. White

Formula: Na₅[Gd(C₇H₂NO₅)₂(C₇H₃NO₅)]·16H₂O

Online April 2000

 

Acta Cryst. (2000). C56, 412-413  [ doi:10.1107/S0108270199016339 ]

Reinvestigation of bis(trimethylsilyl)mercury

N. L. Pickett, O. Just, D. G. VanDerveer and W. S. Rees

Formula: [Hg(C₃H₉Si)₂]₂

Online April 2000

 

Acta Cryst. (2000). C56, 414-415  [ doi:10.1107/S0108270199016509 ]

A novel trinuclear palladium cluster compound: di-₃-chloro-tris[chloro(triphenylphosphine-P)palladium] acetone solvate

K. Sugimoto, T. Kuroda-Sowa, S.-G. Yan, M. Maekawa and M. Munakata

Formula: [Pd₃Cl₅(C₁₈H₁₅P)₃]·C₃H₆O

Online April 2000

 

Acta Cryst. (2000). C56, 416-417  [ doi:10.1107/S0108270199016649 ]

Carbonyl[dihydrobis(pyrazol-1-yl-N²)borato]hydridobis(tri-p-tolylphosphine-P)ruthenium(II)

S. Huh, Y. J. Park, A. J. Lough and M.-J. Jun

Formula: [RuH(C₆H₈BN₄)(C₂₁H₂₁P)₂(CO)]

Online April 2000

 

Acta Cryst. (2000). C56, 418-420  [ doi:10.1107/S0108270199016765 ]

Poly[[bis(dimethyl sulfoxide-O)tris(thiocyanato-N)manganese(II)]--thiocyanato-²N:S-mercury(II)]

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

Formula: [MnHg(SCN)₄(C₂H₆SO)₂]_n

Online April 2000

 

Acta Cryst. (2000). C56, 421-422  [ doi:10.1107/S010827019901673X ]

Aqua(n-hexyl)[3,3'-(propane-1,3-diyldinitrilo)bis(butan-2-one) dioximato-⁴N]cobalt(III) perchlorate

P. Xiang, Y. Chen, X.-J. Shen, H.-L. Chen and C.-Y. Duan

Formula: [Co(C₆H₁₃)(C₁₁H₁₉N₄O₂)(H₂O)]ClO₄

Online April 2000

 

Acta Cryst. (2000). C56, 423-424  [ doi:10.1107/S0108270199016935 ]

[N,N'-Bis(5-bromosalicylidene)-o-phenylenediaminato]copper(II)

A. Elmali, Y. Elerman and I. Svoboda

Formula: [Cu(C₂₀H₁₂Br₂N₂O₂)]

Online April 2000

 

Acta Cryst. (2000). C56, 425-426  [ doi:10.1107/S0108270100000160 ]

One-dimensional polymeric chain structure of bis(aniline)dithiocyanatocadmium(II)

H.-S. Moon, C.-H. Kim and S.-G. Lee

Formula: [Cd(SCN)₂(C₆H₇N)₂]

Online April 2000

 

Acta Cryst. (2000). C56, 427-429  [ doi:10.1107/S0108270100000263 ]

Salts of two pentahalo(N-donor)bismuthate(III) anions: [BiX₅L]^2- (X = Cl, Br; L = pyridine, 4-picoline)

S. C. James, Y. G. Lawson, N. C. Norman, A. G. Orpen and M. J. Quayle

Formula: (C₅H₆N)₂[BiCl₅(C₅H₅N)] and (C₁₂H₁₅N₂)₂[BiBr₅(C₆H₇N)]

Online April 2000

 

Acta Cryst. (2000). C56, 430-431  [ doi:10.1107/S0108270100000329 ]

Acetatodiaqua[3-(salicyloylhydrazono)butan-2-one oximato]nickel(II) ethanol solvate

Y. Song, Y. Xu, D.-R. Zhu and X.-Z. You

Formula: [Ni(C₁₁H₁₂N₃O₃)(C₂H₃O₂)(H₂O)₂]·C₂H₆O

Online April 2000

 

Acta Cryst. (2000). C56, 432-433  [ doi:10.1107/S0108270100000524 ]

Sodium mycophenolate

G. Rihs, C. Papageorgiou and S. Pfeffer

Formula: Na⁺·C₁₇H₁₉O₆^-

Online April 2000

 

Acta Cryst. (2000). C56, 434-435  [ doi:10.1107/S0108270100000615 ]

[Sm(NO₃)₃(TPTZ)(H₂O)]·2H₂O [TPTZ is 2,4,6-tris(2-pyridyl)-1,3,5-triazine]

M. G. B. Drew, M. J. Hudson, P. B. Iveson and C. Madic

Formula: [Sm(NO₃)₃(C₁₈H₁₂N₆)(H₂O)]·2H₂O

Online April 2000

 

Acta Cryst. (2000). C56, 436-437  [ doi:10.1107/S0108270199013608 ]

A host-guest complex of diaquabis[1-hydroxy-2(1H)-pyridinethionato-O,S]magnesium(II) and 2,2'-dithiobis(pyridine N-oxide)

A. Bond and W. Jones

Formula: [Mg(C₅H₄NOS)₂(H₂O)₂]·C₁₀H₈N₂O₂S₂

Online April 2000

 

Acta Cryst. (2000). C56, 438-439  [ doi:10.1107/S0108270100001037 ]

Mixed-chalcogenide double-butterfly complex [{(CO)₆Fe₂SSe}₂{-C(H)-C(H)}]

K. Panneerselvam, T.-H. Lu, S.-F. Tung, A. K. Dash and P. Mathur

Formula: [Fe₄(C₂H₂S₂Se₂)(CO)₁₂]

Online April 2000

 

Acta Cryst. (2000). C56, 440-444  [ doi:10.1107/S0108270199014778 ]

Three sulfur-containing diborane(4) compounds

N. C. Norman, A. G. Orpen, M. J. Quayle and C. R. Rice

Formula: C₈H₂₂B₂N₂S₄·0.33CH₂Cl₂, C₁₀H₁₄B₂N₂S₁₀ and C₈H₄B₂S₆

Online April 2000

 

Acta Cryst. (2000). C56, 445-447  [ doi:10.1107/S0108270199015292 ]

Nouveaux dérivés de N-phtalimido-2-arylepropanoate de pantolactonyle

M. Rolland, M. Calmès, F. Escale and J. Martinez

Formula: C₂₃H₂₀FNO₆ et C₂₅H₂₅NO₈·0,5C₄H₈O₂

Online April 2000

 

Acta Cryst. (2000). C56, 448-450  [ doi:10.1107/S0108270199015620 ]

Chelidamic acid monohydrate: the proton complex of a multidentate ligand

A. K. Hall, J. M. Harrowfield, B. W. Skelton and A. H. White

Formula: C₇H₅NO₅·H₂O

Online April 2000

 

Acta Cryst. (2000). C56, 451-452  [ doi:10.1107/S010827019901570X ]

cis-Verbenol

J. K. Harper, A. M. Arif and D. M. Grant

Formula: C₁₀H₁₆O

Online April 2000

 

Acta Cryst. (2000). C56, 453-454  [ doi:10.1107/S0108270199016753 ]

Neutral bis(ethylenedithio)tetrathiafulvalene at 100 K

P. Guionneau, D. Chasseau, J. A. K. Howard and P. Day

Formula: C₁₀H₈S₈

Online April 2000

 

Acta Cryst. (2000). C56, 455-456  [ doi:10.1107/S0108270199016741 ]

The antiestrogen [2-(4-benzylphenoxy)ethyl]diethylammonium chloride

A. Hempel, N. Camerman, Z. Dauter, D. Mastropaolo and A. Camerman

Formula: C₁₉H₂₆NO⁺·Cl^-

Online April 2000

 

Acta Cryst. (2000). C56, 457-458  [ doi:10.1107/S0108270199016923 ]

Flavone-3'-sulfonamide

E. Kendi, S. Özbey, O. Bozdag and R. Ertan

Formula: C₁₅H₁₁NO₄S

Online April 2000

 

Acta Cryst. (2000). C56, 459-460  [ doi:10.1107/S0108270100000032 ]

Methyl 1-(4-chlorobenzyl)-2-(4-methylpiperazin-1-yl)-1H-benzimidazole-5-carboxylate hemihydrate

S. Özcan, E. Kendi, M. Tunçbilek and H. Göker

Formula: C₂₁H₂₃ClN₄O₂·0.5H₂O

Online April 2000

 

Acta Cryst. (2000). C56, 461-462  [ doi:10.1107/S0108270100000020 ]

The fused heterocycle 2-benzyl-3-methyl-1-phenyl-4-phenylsulfonyl-2H,4H-pyrrolo[3,4-b]indole

W. M. Simon, H. A. Trujillo, E. T. Pelkey, G. W. Gribble and J. P. Jasinski

Formula: C₃₀H₂₄N₂O₂S

Online April 2000

 

Acta Cryst. (2000). C56, 463-464  [ doi:10.1107/S0108270100000184 ]

4-Fluoro-2-(phosphonomethyl)benzenesulfonic acid monohydrate

F. Adani, E. Montoneri and P. J. Squattrito

Formula: C₇H₈FO₆PS·H₂O

Online April 2000

 

Acta Cryst. (2000). C56, 465-468  [ doi:10.1107/S0108270100000214 ]

2,4,6-Tris(methylthio)-1,3,5-triazine, 3-methyl-4,6-bis(methylthio)-1,3,5-triazine-2(3H)-thione, 1,3-dimethyl-4-methylthio-1,3,5-triazine-2,6(1H,3H)-dithione and 1,3,5-trimethyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trithione

M. Greenberg, V. Shteiman and M. Kaftory

Formula: Four isomers of C₆H₉N₃S₃

Online April 2000

 

Acta Cryst. (2000). C56, 469-470  [ doi:10.1107/S0108270100000330 ]

N-Carboxy-L-phenylalanine anhydride

H. Kanazawa

Formula: C₁₀H₉NO₃

Online April 2000

 

Acta Cryst. (2000). C56, 471-472  [ doi:10.1107/S0108270100000317 ]

-Pyridinium dichloroiodide

E. S. Lang, R. A. Burrow and J. Diniz

Formula: C₅H₆N⁺·Cl₂I^-

Online April 2000

 

Acta Cryst. (2000). C56, 473-474  [ doi:10.1107/S010827010000072X ]

Two 5-oxa-2,6-diazaspiro[3.4]octan-1-one derivatives from the [3+2] cycloaddition of methylenelactams with nitrones

A. Chiaroni, C. Riche, S. Rigolet, J.-M. Mélot and J. Vebrel

Formula: C₂₂H₂₆N₂O₂ and C₂₅H₂₂N₂O₄

Online April 2000

 

Acta Cryst. (2000). C56, 475-476  [ doi:10.1107/S0108270100000640 ]

4-[1-(Phenylsulfonyl)indol-3-yl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

R. Sankaranarayanan, D. Velmurugan, S. Shanmuga Sundara Raj, H.-K. Fun, G. Babu and P. T. Perumal

Formula: C₂₆H₂₂N₂O₂S

Online April 2000

 

Acta Cryst. (2000). C56, 477-478  [ doi:10.1107/S0108270100000755 ]

1:1 Hetero-assembly of 2-aminopyrimidine and (+)-camphoric acid

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

Formula: C₄H₅N₃·C₁₀H₁₆O₄

Online April 2000

 

Acta Cryst. (2000). C56, 479-480  [ doi:10.1107/S0108270100000664 ]

(8-Dimethylamino-1-naphthyl)dimethylammonium 3-carboxy-1,4,5,-6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2-carboxylate hydrate

D. E. Keller, H. Kooijman, A. M. M. Scheurs, J. Kroon and E. Grech

Formula: C₁₄H₁₉N₂⁺·C₉H₃Cl₆O₄^-·H₂O

Online April 2000

 

Acta Cryst. (2000). C56, 481-483  [ doi:10.1107/S0108270100000767 ]

(3R,4S)-3-Phenyl-1-[(R)-1-phenylethyl]-4-[(R)-1-phenylethyliminomethyl]azetidin-2-one

H. Kooijman, A. L. Spek, H. Kleijn, H. L. van Maanen, J. T. B. H. Jastrzebski and G. van Koten

Formula: C₂₆H₂₆N₂O

Online April 2000

 

Acta Cryst. (2000). C56, 484-486  [ doi:10.1107/S0108270100000731 ]

(E)-6-Methoxy-3-(-methoxybenzylidene)benzo[b]furan-2(3H)-one at 173 K

A. J. Burke, H. W. Schmalle, B. A. Brady and W. I. O'Sullivan

Formula: C₁₇H₁₄O₄

Online April 2000

 

Acta Cryst. (2000). C56, 487-488  [ doi:10.1107/S0108270100000743 ]

1,2-Ph₂-9-I-1,2-closo-C₂B₁₀H₉

T. D. McGrath, M. A. Fox and A. J. Welch

Formula: C₁₄H₁₉B₁₀I

Online April 2000

 

Acta Cryst. (2000). C56, 489-491  [ doi:10.1107/S0108270100000780 ]

7-Iodo-8-aza-7-deaza-2'-deoxyadenosine and 7-bromo-8-aza-7-deaza-2'-deoxyadenosine

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

Formula: C₁₀H₁₂IN₅O₃ and C₁₀H₁₂BrN₅O₃

Online April 2000

 

Acta Cryst. (2000). C56, 492-493  [ doi:10.1107/S0108270100000809 ]

N,N'-Bis(2-tosylaminobenzylidene)benzene-1,2-diamine

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

Formula: C₃₄H₃₀N₄O₄S₂

Online April 2000

 

Acta Cryst. (2000). C56, 494-495  [ doi:10.1107/S0108270100000998 ]

Ethyl 3-(2'-deoxyuridin-5-yl)-3-hydroxy-2-iodopropanoate, a nucleoside analogue

G. Mazumdar, M. De, A. Mukhopadhyay, S. K. Mazumdar, N. Mazumder, A. K. Das and E. E. Knaus

Formula: C₁₄H₁₉IN₂O₈

Online April 2000

 

Acta Cryst. (2000). C56, 496-499  [ doi:10.1107/S0108270100001268 ]

Ammonium N-acetyl-L-threoninate and methylammonium N-acetyl-L-threoninate

R. Puliti and C. A. Mattia

Formula: CH₆N⁺·C₆H₁₀NO₄^- and NH₄⁺·C₆H₁₀NO₄^-

Online April 2000

 

Acta Cryst. (2000). C56, 500-502  [ doi:10.1107/S0108270100001463 ]

A new `hydrogen-bond rule' applied to the structure of L-seryl-L-alanine and pairs of dipeptide retroanalogues

C. H. Görbitz

Formula: C₆H₁₂N₂O₄

Online April 2000

 

Acta Cryst. (2000). C56, 503-504  [ doi:10.1107/S0108270100001554 ]

1-(3-Methoxybenzoyl)-3,3-diethylthiourea

A. D. Morales, H. Novoa de Armas, N. M. Blaton, O. M. Peeters, C. J. De Ranter, H. Márquez and R. Pomés Hernández

Formula: C₁₃H₁₈N₂O₂S

Online April 2000

 

Acta Cryst. (2000). C56, 505-507  [ doi:10.1107/S0108270199014602 ]

Triterpenoide. XIX. 3-Hydroxy-11-oxo-18-olean-12-en-28-säure-methylester und 3,11-Dioxo-18-olean-12-en-28-säure-methylester

A. Gzella

Formula: C₃₁H₄₆O₄ und C₃₁H₄₈O₄·C₂H₆O

Online April 2000

 

Acta Cryst. (2000). C56, 508-509  [ doi:10.1107/S0108270100001669 ]

1-{5-[2-(Trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}guanidinium chloride

R. W. Janes

Formula: C₁₀H₉F₃N₅S⁺·Cl^-

Online April 2000

 

Acta Cryst. (2000). C56, 510  [ doi:10.1107/S0108270100004352 ]

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

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

Formula: [Mo(C₅H₅)(C₁₀H₁₁)(CO)₂]

Online April 2000

 

Acta Cryst. (2000). C56, e117  [ doi:10.1107/S0108270100003395 ]

K₉CeP₄S₁₆, a new thiophosphate of cerium with discrete [Ce(PS₄)₄]^9- anions

G. Gauthier, S. Jobic, V. Danaire, R. Brec and M. Evain

Synopsis: Nonapotassium cerium tetraphosphorus hexadecasulfide is a zero-dimensional material isostructural with the rubidium analogue.

Formula: K₉CeP₄S₁₆

Online April 2000

 

Acta Cryst. (2000). C56, e118-e119  [ doi:10.1107/S0108270100002894 ]

trans-(Methanol)(methyldiphenylphosphine)bis(pentane-2,4-dionato)cobalt(III) hexafluorophosphate hydrate

T. Suzuki

Synopsis: Recrystallization of trans-[Co(acac)₂(PMePh₂)(H₂O)]PF₆ (acac is pentane-2,4-dionato) from aqueous methanol gave purple prisms of the title compound. The molecular structure of the complex cation having a coordinated methanol ligand was revealed with a Co-O(methanol) distance of 2.059 (3) Å.

Formula: [Co(C₅H₇O₂)₂(C₁₃H₁₃P)(CH₄O)]PF₆·H₂O

Online April 2000

 

Acta Cryst. (2000). C56, e120-e121  [ doi:10.1107/S0108270100003243 ]

Di--acetato-O:O'-di--acetato-O,O':O'-bis{[(cyclopentadienyl)tris(dimethylphosphito-P)cobalt-O,O',O'']neodymium(III)}

S.-G. Roh and J. H. Jeong

Synopsis: The title Nd compound is isomorphous with the corresponding Y compound, but with a larger unit cell.

Formula: [Co₂Nd₂(C₅H₅)₂(C₂H₃O₂)₄(C₂H₆O₃P)₆]

Online April 2000

 

Acta Cryst. (2000). C56, e122  [ doi:10.1107/S0108270100003255 ]

[N,N'-Bis(salicylidene)-1,2-diphenyl-(RS,SR)-1,2-ethanediaminato]nickel(II)

G. Hoshina, M. Tsuchimoto and S. Ohba

Synopsis: The coordination geometry around the Ni atom is square planar with a slight tetrahedral distortion. The five-membered chelate ring has a distorted gauche conformation with the phenyl groups in axial and equatorial orientations.

Formula: [Ni(C₂₈H₂₂N₂O₂)]

Online April 2000

 

Acta Cryst. (2000). C56, e123  [ doi:10.1107/S0108270100003358 ]

cis-Diaquabis(trans-cinnamato-O,O')zinc(II)

H. Hosomi, S. Ohba and Y. Ito

Synopsis: The title complex shows a distorted octahedral coordination and has a crystallographic twofold rotation axis. Intermolecular O-HO hydrogen bonds form a two-dimensional network in the ab plane.

Formula: [Zn(C₉H₇O₂)₂(H₂O)₂]

Online April 2000

 

Acta Cryst. (2000). C56, e124-e125  [ doi:10.1107/S0108270100003383 ]

Bis(tetraethylammonium) tetraiodozincate at 150 and 301 K

W. T. A. Harrison, R. A. Howie, J. Skakle and J. L. Wardell

Synopsis: The title compound, (Et₄N)[ZnI₄], is isostructural with the previously reported tetrabromocadmate, whose coordinates were used as the starting parameters for both of the refinements presented here. The asymmetric unit comprises one anion and three cations, all of which are in special positions. The anion has five nearest-neighbour cations in the form of a square pyramid.

Formula: (C₈H₂₀N)₂[ZnI₄] and (C₈H₂₀N)₂[ZnI₄]

Online April 2000

 

Acta Cryst. (2000). C56, e126-e127  [ doi:10.1107/S0108270100003401 ]

Monoclinic and triclinic forms of bis[2-hydroxy-2,2-bis(2-pyridyl)ethanoato-O¹,N,N']nickel(II)

B. F. Abrahams, B. F. Hoskins, T. A. Hudson and R. Robson

Synopsis: Both the monoclinic and triclinic forms of the neutral title complex show an octahedral nickel(II) centre coordinated by two facial tridentate pyridylate ligands. The O-donor atoms of each ligand are trans.

Formula: Two forms of [Ni(C₁₂H₉N₂O₃)₂]

Online April 2000

 

Acta Cryst. (2000). C56, e128-e129  [ doi:10.1107/S0108270100003504 ]

(-C-meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-N-acetato-1⁵N,N',N'',N''',O:2O')tetrachloro-1Cl,2³Cl-cobalt(III)zinc(II)

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

Synopsis: The Co^III ion is six-coordinate in a nearly octahedral environment (one Cl, one O and four N atoms) and the Zn^II ion is four-coordinate in a distorted tetrahedral environment (three Cl and one O atom).

Formula: [CoZnCl₄(C₁₈H₃₇N₄O₂)]

Online April 2000

 

Acta Cryst. (2000). C56, e130-e131  [ doi:10.1107/S0108270100003516 ]

Tris(8-quinolinolato-N,O)cobalt(III) ethanol solvate

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

Synopsis: The central Co atom of the title complex has a distorted octahedral coordination. The three Co-O bond distances are in the range 1.887 (2)-1.910 (2) Å, while the three Co-N bond distances are in the range 1.919 (2)-1.934 (2) Å. The ethanol solvate molecule is involved in an O-HO intermolecular hydrogen bond.

Formula: [Co(C₉H₆NO)₃]·C₂H₆O

Online April 2000

 

Acta Cryst. (2000). C56, e132-e133  [ doi:10.1107/S0108270100003838 ]

cis-Dichloro(dimethylaminomethylene)(triphenylphosphine)palladium(II) acetone solvate

R. McCrindle, A. J. McAlees, E. Zang and G. Ferguson

Synopsis: The crystal structure of the title compound contains discrete monomeric molecules of the carbene complex and solvent molecules separated by normal van der Waals distances. The Pd atom is four-coordinate in an essentially square-planar environment, with the chlorine ligands mutually cis; Pd-P = 2.2495 (7), Pd-Cl = 2.3508 (7) and 2.3600 (7), Pd-C = 1.948 (2) and N-C(carbene) = 1.274 (3) Å.

Formula: [PdCl₂(C₃H₇N)(C₁₈H₁₅P)]·C₃H₆O

Online April 2000

 

Acta Cryst. (2000). C56, e134-e135  [ doi:10.1107/S0108270100003899 ]

Bis(isopropylamino)methylcarbenium tetrakis(pentafluorophenyl)gallate

I. A. Guzei, S. Dagorne and R. F. Jordan

Synopsis: The title compound crystallizes as discrete ions, which form interionic hydrogen bonds of the type N-HF.

Formula: (C₈H₁₉N₂)[Ga(C₆F₅)₄]

Online April 2000

 

Acta Cryst. (2000). C56, e136-e137  [ doi:10.1107/S0108270100002705 ]

A chiral furocoumarin

F. H. Billiot, D. R. Billodeaux, S. F. Watkins and F. R. Fronczek

Synopsis: In the title, compound, both chiral centers have the an S configuration. Both OH groups and both H atoms of the water molecule form intermolecular hydrogen bonds with OO distances in the range 2.7686 (18)-2.8717 (18) Å.

Formula: C₁₄H₁₄O₅·H₂O

Online April 2000

 

Acta Cryst. (2000). C56, e138  [ doi:10.1107/S0108270100003231 ]

(2R,3R,4R,5S)-3,4,5-Trihydroxy-2-(2-hydroxyethyl)piperidinium chloride

M. Koman, P. Szolcsányi and T. Gracza

Synopsis: The absolute configuration at the new stereogenic centre, formed during the key step of the total synthesis, was established by X-ray analysis of the title compound.

Formula: C₇H₁₆NO₄⁺·Cl^-

Online April 2000

 

Acta Cryst. (2000). C56, e139  [ doi:10.1107/S0108270100003267 ]

Triethylammonium hydrogen fumarate

H. Hosomi, S. Ohba and Y. Ito

Synopsis: In crystals of the title compound, the hydrogen fumarate anions form one-dimensional chains through O-HO hydrogen bonding along the c and (a+b)/2 directions. There are three sites of the hydrogen fumarate, two of which have an inversion centre.

Formula: C₆H₁₆N⁺·C₄H₃O₄^-

Online April 2000

 

Acta Cryst. (2000). C56, e140-e141  [ doi:10.1107/S010827010000336X ]

(-)-(3S)-4-(2-{[4,4-Dimethoxy-6-(benzyloxymethyl)perhydropyran-2-yl]methyl}-1,3-dithian-2-yl)-4-methyl-3-(1,1,2,2-tetramethyl-1-silapropoxy)pentan-1-ol

H. Hosomi, S. Ohba, K. Ohmori, T. Obitsu, Y. Ogawa, Y. Ishikawa, S. Yamamura and S. Nishiyama

Synopsis: The absolute configuration was determined for the title compound, which was prepared in a synthetic study on the natural products bryostatins. There are two independent molecules which show similar conformations, except for the orientation of the methoxy groups.

Formula: C₃₂H₅₆O₆S₂Si

Online April 2000

 

Acta Cryst. (2000). C56, e142-e143  [ doi:10.1107/S0108270100003371 ]

(+)-3-{(4S,5S)-5-[1,1-Dimethyl-2-(phenylthio)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl}prop-2-yn-1-ol

H. Hosomi, S. Ohba, K. Ohmori, T. Obitsu, Y. Ogawa, Y. Ishikawa, S. Yamamura and S. Nishiyama

Synopsis: The absolute configuration was determined for the optically active title compound, which was prepared in a synthetic study on the natural products bryostatins.

Formula: C₁₈H₂₄O₃S

Online April 2000

 

Acta Cryst. (2000). C56, e144-e146  [ doi:10.1107/S010827010000384X ]

Charge-transfer complexes of N-methyl-, N-isopropyl-, N-butyl- and N-isobutylcarbazole with 3,5-dinitrobenzoic acid

H. Hosomi, S. Ohba and Y. Ito

Synopsis: In the four title compounds, (I)-(IV), respectively, the donor and acceptor molecules are stacked alternately to form one-dimensional columns, but with different relative orientations of the alkyl substituents and thenitro groups.

Online April 2000

 

Acta Cryst. (2000). C56, e147-e148  [ doi:10.1107/S0108270100003851 ]

Charge-transfer complexes of N-methyl-and N-ethylcarbazole with 3,5-dinitrobenzonitrile

H. Hosomi, S. Ohba and Y. Ito

Synopsis: In the two title compounds, (I) and (II), respectively, the donor and acceptor molecules are stacked alternately to form one-dimensional columns, but with different relative orientations of the substituents on the donor andacceptor.

Formula: C₁₄H₁₃N·C₇H₃N₃O₄ and C₁₃H₁₁N·C₇H₃N₃O₄

Online April 2000

 

Acta Cryst. (2000). C56, e149-e150  [ doi:10.1107/S0108270100003863 ]

Charge-transfer complexes of 4-(dimethylamino)pyridine with 2,4-, 3,4- and 3,5-dinitrobenzoic acid

H. Hosomi, S. Ohba and Y. Ito

Synopsis: The three title structures, (I)-(III), respectively, consist of 4-(dimethylamino)pyridinium and dinitrobenzoate ions connected by an N-HO hydrogen bond. Donor-acceptor - stacking is observed in (II) and (III), but notin (I).

Formula: Three C₇H₁₁N₂⁺·C₇H₃N₂O₆^- analogues

Online April 2000

 

Acta Cryst. (2000). C56, e151  [ doi:10.1107/S0108270100004029 ]

N-Benzyl-N-(2-methoxyphenyl)cyclohex-1-enecarboxamide

H. Hosomi, S. Ohba and H. Aoyama

Synopsis: The title amide does not photocyclize in the solid state. The methoxy group is involved in intermolecular steric interactions and so prevents rotation of the N-phenyl group in the crystal.

Formula: C₂₁H₂₃NO₂

Online April 2000

 

Acta Cryst. (2000). C56, e152-e153  [ doi:10.1107/S0108270100004030 ]

N-Isopropyl-N-[(E)-2-phenylpropenyl]thiobenzamide and N-isopropyl-3-methoxy-N-[(E)-2-phenylpropenyl]thiobenzamide

H. Hosomi, S. Ohba and H. Aoyama

Synopsis: The crystal structures of the two title thiobenzamides, i.e. (I) and (II), were determined to investigate the relationship between the photoreactivity in solid state and the structure. Their geometry was confirmed to be the E isomer in each case.

Formula: C₂₀H₂₃NOS and C₁₉H₂₁NS

Online April 2000

 

Acta Cryst. (2000). C56, e154  [ doi:10.1107/S0108270100004042 ]

N-Methyl-N-[(Z)-2-phenylpropenyl]thiobenzamide

H. Hosomi, S. Ohba and H. Aoyama

Synopsis: The crystal structure of the title thiobenzamide was determined to investigate the relationship between the photoreactivity in solid state and the structure. The geometry was confirmed to be the Z isomer.

Formula: C₁₇H₁₇NS

Online April 2000

 

Acta Cryst. (2000). C56, e155  [ doi:10.1107/S0108270100004054 ]

2-Isopropyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline-1-thione

H. Hosomi, S. Ohba and H. Aoyama

Synopsis: The title compound is the photoproduct obtained from N-isopropyl-N-[(E)-2-phenylpropenyl]thiobenzamide. Recrystallization showed a spontaneous resolution.

Formula: C₁₉H₂₁NS

Online April 2000

 

Acta Cryst. (2000). C56, e156  [ doi:10.1107/S0108270100003279 ]

A double mesogen based on linked p-terphenyl units

S. Gupta, R. A. Palmer, B. S. Potter, C. S. Frampton, C. Tschierske and S. P. SenGupta

Synopsis: The title compound is a double mesogen in which two rigid p-terphenyl-based units are connected laterally by a carbonate linker. Layers of molecules pack along the a axis, stimulating a smectic A-type arrangement, and on melting, a smectic A phase appears at 388 K and becomes isotropic at 389 K.

Formula: C₇₉H₁₁₀O₇

Online April 2000

 

Acta Cryst. (2000). C56, e157-e158  [ doi:10.1107/S0108270100003486 ]

Intermolecular hydrogen bonding of the two independent molecules of N-3,5-dinitrobenzoyl-L-leucine

J. F. Gallagher, P. T. M. Kenny and M. O'Donohoe

Synopsis: N-3,5-Dinitrobenzoyl-L-leucine crystallizes as two independent molecules which differ in their conformation. Intermolecular hydrogen bonding involving (amide)N-HO=C(acid) and (acid)O-HO=C(amide) interactions results in a two-dimensional network consisting of hydrogen-bonded rings with graph-set R⁴₄(20).

Formula: C₁₃H₁₅N₃O₇

Online April 2000

 

Acta Cryst. (2000). C56, e159  [ doi:10.1107/S0108270100003498 ]

A second polymorphic form of N,N'-diphenyl-1,4-phenylenediamine

I. Boyer, S. Quillard, B. Corraze, P. Deniard and M. Evain

Synopsis: A new polymorphic form of N,N'-diphenyl-1,4-phenylenediamine has been characterized. There are two independent centrosymmetric molecules, both of which are more non-planar than the orthorhombic form.

Formula: C₁₈H₁₆N₂

Online April 2000

 

Acta Cryst. (2000). C56, e160-e161  [ doi:10.1107/S0108270100003528 ]

2,2'-Spirobi(1,3-benzodithiole)

K. Ueda, M. Iwamatsu, T. Sugimoto, T. Tada and K.-I Nishimura

Synopsis: A high degree of bending of the two five-membered rings in the title compound produces close contacts between two C atoms in each of the benzo groups and one S atom in the other dithiole ring.

Formula: C₁₃H₈S₄

Online April 2000

 

Acta Cryst. (2000). C56, e162-e163  [ doi:10.1107/S0108270100003802 ]

4-Phenylbutan-2-one semicarbazone

A. Degen, S. Rühl and M. Bolte

Synopsis: The title compound crystallizes with two molecules in the asymmetricunit, which are held together by an extended network of hydrogen bonds.Only five of the six theoretically possible hydrogen bonds areformed.

Formula: C₁₁H₁₅N₃O

Online April 2000

 

Acta Cryst. (2000). C56, e164  [ doi:10.1107/S0108270100003814 ]

1,2,4-Triazolo[2,3-h]-7,9-thiaza-11-crown-4

F. Lazrak, E.-M. Essassi, B. El-Bali and M. Bolte

Synopsis: The 11-membered ring of the title compound, which may be used for complexing metal atoms, adopts a chair conformation of approximate mirror symmetry.

Formula: C₈H₁₃N₃O₂S

Online April 2000

 

Acta Cryst. (2000). C56, e165-e166  [ doi:10.1107/S0108270100003826 ]

4-Acetonylidene-1-ethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

M. S. M. S. Ould, B. Djerrari, M. El Abbassi, J. Fifani, E.-M. Essassi, B. El-Bali and M. Bolte

Synopsis: The diazepine ring of the title compound adopts a boat conformation. An intramolecular hydrogen bond is formed between the NH group of the diazepine ring and a carbonyl O atom of one of the side chains.

Formula: C₁₄H₁₆N₂O₂

Online April 2000

 

Acta Cryst. (2000). C56, e167  [ doi:10.1107/S0108270100003875 ]

1,3,5-Tris(chloromethyl)benzene

J. C. Bryan, M. N. Burnett and R. A. Sachleben

Synopsis: The title compound is being used as a platform for new tripodal receptors.Two molecules make up the asymmetric unit and weak intermolecularhydrogen bonding is observed between a methylene H atom and theCl atom of an adjacent molecule; there are also C-H interactions.

Formula: C₉H₉Cl₃

Online April 2000

 

Acta Cryst. (2000). C56, e168-e169  [ doi:10.1107/S0108270100003887 ]

4-Hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propyl-3,4-dihydroquinazolin-3-yl)-1,2-dihydroquinoline-3-carboxamide

S. V. Shishkina, O. V. Shishkin, I. V. Ukrainets, N. A. Jaradat and O. V. Gorokhova

Synopsis: The two bicyclic fragments of the molecule are planar and are turned with respect to each other by 77.8 (2)°. The formation of intramolecular O-HO and N-HO hydrogen bonds causes considerable changes in the bond lengths within the amidopyridine fragment.

Formula: C₂₂H₂₀N₄O₄

Online April 2000