Crystal Structure Communications

 

Acta Cryst. (2000). C56, 1289-1291  [ doi:10.1107/S0108270100008763 ]

Na₂Fe(CN)₅(NO)·2D₂O at 11 and 293 K by X-ray, and at 15 K by neutron diffraction

A. J. Schultz, B. N. Figgis and A. N. Sobolev

Synopsis: Precise X-ray and neutron structural determinations of Na₂Fe(CN)₅(NO)·2D₂O performed at very low temperatures are presented. The X-ray and neutron diffraction positional and atomic displacement parameters agree very well. The [Fe(CN)₅(NO)]^2- anion has approximate octahedral stereochemistry.

Formula: Na₂Fe(CN)₅(NO)·1.45D₂O·0.55H₂O

Online November 2000

 

Acta Cryst. (2000). C56, 1292-1293  [ doi:10.1107/S010827010000977X ]

Bismuth(V) iron(III) tris(phosphate) oxide

A. Benabad, K. Bakhous, F. Cherkaoui and E. M. Holt

Synopsis: Bi^V_0.4Fe^III₃O(PO₄)₃ exists as a branched polymeric chain of Fe atoms singly or doubly bridged by oxo and phosphate O atoms, in between which are found Bi sites.

Formula: Bi_0.4Fe₃O(PO₄)₃

Online November 2000

 

Acta Cryst. (2000). C56, 1294-1295  [ doi:10.1107/S0108270100011239 ]

Sodium trivanadium(III) bis(sulfate) hexahydroxide

A. Dobley, P. Y. Zavalij and M. S. Whittingham

Synopsis: In the title compound, octahedrally coordinated vanadium and tetrahedral sulfate ions share corners to form layers that are held together by hydrogen bonds and by sodium ions, which are located between the layers.

Formula: NaV₃(SO₄)₂(OH)₆

Online November 2000

 

Acta Cryst. (2000). C56, 1296-1297  [ doi:10.1107/S0108270100011264 ]

Bis(di-tert-butylthiophosphinic isopropylamidato-N,S)nickel(II)

W. Kuchen and H. Wunderlich

Formula: [Ni(C₁₁H₂₅NPS)₂]

Online November 2000

 

Acta Cryst. (2000). C56, 1298-1299  [ doi:10.1107/S0108270100009008 ]

Dichlorobis[2-(o-tolyliminiomethyl)phenolato-O]zinc(II)

D. Ülkü, C. Arici, M. N. Tahir and O. Atakol

Formula: [ZnCl₂(C₁₄H₁₃NO)₂]

Online November 2000

 

Acta Cryst. (2000). C56, 1300-1301  [ doi:10.1107/S0108270100010362 ]

Tetrameric indium trichloride, a new modification of a widely used compound

P. Müller, I. Usón, J. Prust and H. W. Roesky

Formula: [In₄Cl₁₂(C₄H₁₁N)₆]

Online November 2000

 

Acta Cryst. (2000). C56, 1302-1304  [ doi:10.1107/S0108270100010428 ]

[N,N'-Bis(5-bromosalicylidene)-1,3-diaminopropane]nickel(II) and [N,N'-bis(5-chlorosalicylidene)-1,3-diaminopropane]copper(II)

A. Elmali, C. T. Zeyrek, Y. Elerman and I. Svoboda

Formula: [Ni(C₁₇H₁₄Br₂N₂O₂)] and [Cu(C₁₇H₁₄Cl₂N₂O₂)]

Online November 2000

 

Acta Cryst. (2000). C56, 1305-1307  [ doi:10.1107/S010827010001043X ]

Polymeric diaquatetra--thiocyanato-manganese(II)mercury(II) bis(N,N-dimethylacetamide) solvate

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

Formula: [MnHg(SCN)₄(H₂O)₂]·2C₄H₉NO

Online November 2000

 

Acta Cryst. (2000). C56, 1308-1309  [ doi:10.1107/S0108270100010842 ]

(Ethanol-O)tris(nitrato-O,O')bis(triphenylphosphine oxide-O)cerium(III)

W. Levason, E. H. Newman and M. Webster

Formula: [Ce(NO₃)₃(C₂H₆O)(C₁₈H₁₅OP)₂]

Online November 2000

 

Acta Cryst. (2000). C56, 1310-1311  [ doi:10.1107/S0108270100011215 ]

High-temperature phase of trans-tetraaquabis(trifluoroacetato-O)manganese(II)

Z. Olejnik and T. Lis

Formula: [Mn(C₂F₃O₂)₂(H₂O)₄]

Online November 2000

 

Acta Cryst. (2000). C56, 1312-1313  [ doi:10.1107/S0108270100011392 ]

Bis(acridine-N)(nitrato-O,O')silver(I)

I. Sloufova and M. Slouf

Formula: [Ag(NO₃)(C₁₃H₉N)₂]

Online November 2000

 

Acta Cryst. (2000). C56, 1314-1315  [ doi:10.1107/S0108270100011598 ]

Bis(1,5-diazacyclooctane-N,N')nickel(II) dibromide

M. Du, X.-H. Bu, X.-B. Leng, Y.-M. Guo and R.-H. Zhang

Formula: [Ni(C₆H₁₄N₂)₂]Br₂

Online November 2000

 

Acta Cryst. (2000). C56, 1316-1318  [ doi:10.1107/S0108270100011483 ]

(Benzoxazole-2-thiolato-S)(benzoxazole-2-thione-S)bis(triphenylphosphine)copper(I)

T. Nakahodo, E. Horn and E. R. T. Tiekink

Formula: [Cu(C₇H₄NOS)(C₇H₅NOS)(C₁₈H₁₅P)₂]

Online November 2000

 

Acta Cryst. (2000). C56, 1319-1320  [ doi:10.1107/S0108270100011586 ]

Bis[N-phenyl(dicyclohexylthiophosphinoyl)thiomethanamido-S,S']copper(II)

E. Horn, K. Kurosawa and E. R. T. Tiekink

Formula: [Cu(C₁₉H₂₇NPS₂)₂]

Online November 2000

 

Acta Cryst. (2000). C56, 1321-1322  [ doi:10.1107/S0108270100011628 ]

Intra- and intermolecular C-H interactions in bis[benzyl 3-(fluoren-9-ylidene)dithiocarbazato-N³,S]nickel(II)

S. Shanmuga Sundara Raj, H.-K. Fun, J. Wu, Y.-P. Tian, F.-X. Xie, Z.-H. Shao and S.-L. Li

Formula: [Ni(C₂₁H₁₅N₂S₂)₂]

Online November 2000

 

Acta Cryst. (2000). C56, 1323-1325  [ doi:10.1107/S0108270100011641 ]

Two isostructural triboluminescent lanthanide complexes

W. Clegg, I. Sage, I. Oswald, P. Brough and G. Bourhill

Formula: [Tb(C₁₁H₁₉O₂)₃(C₇H₁₀N₂)] and [Sm(C₁₁H₁₉O₂)₃(C₇H₁₀N₂)]

Online November 2000

 

Acta Cryst. (2000). C56, 1326-1329  [ doi:10.1107/S0108270100011793 ]

Triazidocobalt(III) complexes with tridentate amine ligands

H. Chun and I. Bernal

Formula: [Co(N₃)₃(C₇H₁₉N₃)], two forms of [Co(N₃)₃(C₅H₁₅N₃)] and [Co(N₃)₃(C₆H₁₇N₃)]

Online November 2000

 

Acta Cryst. (2000). C56, 1330-1331  [ doi:10.1107/S0108270100010192 ]

Tris(2,6-di-tert-butyl-4-methylphenolato-O)(triphenylphosphine oxide-O)samarium(III)

Y.-M. Yao, Q. Shen and K.-B. Yu

Formula: [Sm(C₁₅H₂₃O)₃(C₁₈H₁₅OP)]

Online November 2000

 

Acta Cryst. (2000). C56, 1332-1333  [ doi:10.1107/S0108270100010465 ]

cis-Dichloro(dimethyl sulfoxide-S)(2-methoxypyridine-N)platinum(II)

G. M. Arvanitis, C. E. Holmes, D. G. Johnson and M. Berardini

Formula: [PtCl₂(C₆H₇NO)(C₂H₆OS)]

Online November 2000

 

Acta Cryst. (2000). C56, 1334-1335  [ doi:10.1107/S0108270100009823 ]

4,5-Diazafluoren-9-ol

C. Tu, D.-R. Zhu, Y. Xu, X.-K. Ke and Z.-J. Guo

Formula: C₁₁H₈N₂O

Online November 2000

 

Acta Cryst. (2000). C56, 1336-1337  [ doi:10.1107/S0108270100009914 ]

Terephthalaldehyde bis(thiosemicarbazone) bis(dimethylformamide) solvate

D.-H. Wu, C. He, C.-Y. Duan and X.-Z. You

Formula: C₁₀H₁₂N₆S₂·2C₃H₇NO

Online November 2000

 

Acta Cryst. (2000). C56, 1338-1342  [ doi:10.1107/S0108270100010131 ]

Diels-Alder adducts of maleic anhydride and dienes: new compounds by crystallization

M. Bolte, A. Degen and E. Egert

Formula: Five Diels-Alder adducts

Online November 2000

 

Acta Cryst. (2000). C56, 1343-1345  [ doi:10.1107/S0108270100010349 ]

Tetracycline hydrochloride: a synchrotron microcrystal study

W. Clegg and S. J. Teat

Formula: C₂₂H₂₅N₂O₈⁺·Cl^-

Online November 2000

 

Acta Cryst. (2000). C56, 1346-1347  [ doi:10.1107/S0108270100010416 ]

Ethyl methyl 1,4-dihydro-4-(3-nitrophenyl)-2,6-bis(1-piperidylmethyl)pyridine-3,5-dicarboxylate

J. Duque, H. Novoa de Armas, R. Pomés Hernández, M. Suárez Navarro, E. Ochoa Rodríguez, E. Salfrán, Y. Verdecia Reyes, N. M. Blaton, O. M. Peeters and C. J. De Ranter

Formula: C₂₈H₃₈N₄O₆

Online November 2000

 

Acta Cryst. (2000). C56, 1348-1350  [ doi:10.1107/S0108270100010441 ]

3-Hydroxybenzaldehyde

J. A. Paixão, A. Matos Beja, M. Ramos Silva, L. Alte da Veiga and A. C. Serra

Formula: C₇H₆O₂

Online November 2000

 

Acta Cryst. (2000). C56, 1351-1353  [ doi:10.1107/S0108270100010453 ]

Tetrakis(diethylamino)phosphonium bromide hemihydrate

Y. Liu, M. O. Fletcher and F. R. Fronczek

Formula: C₁₆H₄₀N₄P⁺·Br^-·0.5H₂O

Online November 2000

 

Acta Cryst. (2000). C56, 1354-1355  [ doi:10.1107/S0108270100010623 ]

Tris(2-methylphenyl)phosphonium tetrachloroborate

J. M. Burke, J. A. K. Howard, T. B. Marder and C. Wilson

Formula: C₂₁H₂₂P⁺·BCl₄^-

Online November 2000

 

Acta Cryst. (2000). C56, 1356-1358  [ doi:10.1107/S0108270100011355 ]

4-Ethynyl-4-hydroxycyclohexan-1-one and 4-ethynyl-4-hydroxy-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one

C. Bilton, J. A. K. Howard, N. N. L. Madhavi, G. R. Desiraju and F. H. Allen

Formula: C₈H₁₀O₂ and C₁₂H₁₄O₂

Online November 2000

 

Acta Cryst. (2000). C56, 1359-1360  [ doi:10.1107/S0108270100011343 ]

Racemic 1,2-diphenylbut-3-yn-2-ol

N. N. L. Madhavi, G. R. Desiraju, C. Bilton, J. A. K. Howard and F. H. Allen

Formula: C₁₆H₁₄O

Online November 2000

 

Acta Cryst. (2000). C56, 1361-1363  [ doi:10.1107/S0108270100010775 ]

Disappearance of intramolecular stacking due to one-atom movement or increment of a `propylene linker' in pyrazolo[3,4-d]pyrimidine-based flexible models

P. R. Maulik, K. Avasthi, S. Sarkhel, T. Chandra, D. S. Rawat, B. Logsdon and R. A. Jacobson

Formula: C₁₇H₂₀N₈S₄ and C₁₈H₂₂N₈O₂S₂

Online November 2000

 

Acta Cryst. (2000). C56, 1364-1366  [ doi:10.1107/S0108270100010805 ]

4-Vinylbenzoic acid and 9-vinylanthracene

N. Yasuda, H. Uekusa and Y. Ohashi

Formula: C₉H₈O₂ and C₁₆H₁₂

Online November 2000

 

Acta Cryst. (2000). C56, 1367-1368  [ doi:10.1107/S010827010001091X ]

Benzo[i]naphtho[c,d]bicyclo[5.4.1]dodecan-12-one

S. Isobe, K. Kubo, T. Thiemann, T. Sawada, T. Yonemitsu and S. Mataka

Formula: C₂₃H₂₀O

Online November 2000

 

Acta Cryst. (2000). C56, 1369-1371  [ doi:10.1107/S0108270100010921 ]

25,27-(6-Tosyl-3,9-dioxa-6-azaundecane-1,11-diyldioxy)-26,28-(3,6,9-trioxaundecane-1,11-diyldioxy)calix[4]arene

J. S. Kim, W. K. Lee, J. A. Rim, W. P. Jensen, J.-H. Lee, M.-J. Kim, J.-G. Kim and I.-H. Suh

Formula: C₅₁H₅₉NO₁₁S

Online November 2000

 

Acta Cryst. (2000). C56, 1372-1373  [ doi:10.1107/S0108270100010933 ]

Norfloxacin dihydrate

A. J. Florence, A. R. Kennedy, N. Shankland, E. Wright and A. Al-Rubayi

Formula: C₁₆H₁₈FN₃O₃·2H₂O

Online November 2000

 

Acta Cryst. (2000). C56, 1374-1376  [ doi:10.1107/S0108270100011173 ]

Marchantin M trimethyl ether

A. W. Mombrú, L. Suescun, E. Pandolfi, G. Seoane, G. López and R. Mariezcurrena

Formula: C₃₁H₃₀O₅

Online November 2000

 

Acta Cryst. (2000). C56, 1377-1379  [ doi:10.1107/S0108270100011185 ]

A norbornenyl derivative with through-space ketone -interaction

B. A. Lloyd, A. M. Arif and E. L. Allred

Formula: C₁₉H₁₇BrO₃

Online November 2000

 

Acta Cryst. (2000). C56, 1380-1382  [ doi:10.1107/S0108270100011197 ]

Unexpected dipivaloylation of 9-lithiated fluorene: formation of 1-(fluoren-9-ylidene)-2,2-dimethylpropyl pivalate

P. D. Robinson, H. G. Lutfi, Y. Hou and C. Y. Meyers

Formula: C₂₃H₂₆O₂

Online November 2000

 

Acta Cryst. (2000). C56, 1383-1385  [ doi:10.1107/S0108270100011161 ]

(1S,2R,2'S)- and (1S,2S,2'S)-1-phenyl-2-phenylthio-2-(tetrahydropyran-2'-ylthio)ethanol diastereoisomers at 193 K

J. Kansikas and K. Sipilä

Formula: Two diastereoisomers of C₁₉H₂₂O₂S₂

Online November 2000

 

Acta Cryst. (2000). C56, 1386-1388  [ doi:10.1107/S0108270100011276 ]

N-Propionyl-1,2-benzisoselenazol-3(2H)-one

Y. S. Peng, H. S. Xu, P. Naumov, S. Shanmuga Sundara Raj, H.-K. Fun, I. A. Razak and S. W. Ng

Formula: C₁₀H₉NO₂Se

Online November 2000

 

Acta Cryst. (2000). C56, 1389-1390  [ doi:10.1107/S0108270100011288 ]

1,21-Henicosanediol

N. Nakamura, K. Uno and Y. Ogawa

Formula: C₂₁H₄₄O₂

Online November 2000

 

Acta Cryst. (2000). C56, 1391-1393  [ doi:10.1107/S010827010001129X ]

Racemic and chiral 1-[N-(chloroacetyl)carbamoylamino]-2,3-dihydro-1H-inden-2-yl chloroacetate

M. Eishima, S. Ohba, M. Suzuki, C. Nagasawa and T. Sugai

Formula: Racemic and chiral C₁₄H₁₄Cl₂N₂O₄

Online November 2000

 

Acta Cryst. (2000). C56, 1394-1395  [ doi:10.1107/S0108270100011562 ]

Phase change in tetraphenylphosphonium perchlorate

S. R. Batten, A. R. Harris and K. S. Murray

Formula: C₂₄H₂₀P⁺·ClO₄^-

Online November 2000

 

Acta Cryst. (2000). C56, 1396-1398  [ doi:10.1107/S0108270100011574 ]

1D-3,4-Di-O-(diphenylmethylphosphonio)-1,2,5,6-tetra-O-methyl-chiro-inositol diiodide

G. J. Gainsford, C. Lensink, J. B. Hart and A. Falshaw

Formula: C₃₆H₄₄O₆P₂²⁺·2I^-

Online November 2000

 

Acta Cryst. (2000). C56, 1399-1400  [ doi:10.1107/S0108270100011471 ]

7,8-Diphenyl-9-dimethylsulfido-10,11--hydro-7,8-dicarba-nido-undecaborane(9)

D. Ellis, G. M. Rosair, S. Robertson and A. J. Welch

Formula: C₁₆H₂₅B₉S

Online November 2000

 

Acta Cryst. (2000). C56, 1401-1403  [ doi:10.1107/S0108270100011604 ]

2,3-Dihydro-3-methyl-2-nitrimino-1,3-thiazole

J. Kyziol, Z. Daszkiewicz and J. Zaleski

Formula: C₄H₅N₃O₂S

Online November 2000

 

Acta Cryst. (2000). C56, 1404-1406  [ doi:10.1107/S010827010001177X ]

N-[Bis(2,4,6-trimethylphenoxy)phosphinoyl]-P,P,P-tris(2,4,6-trimethylphenoxy)phosphazene

T. Hökelek, N. Akduran, S. Begeç, A. Kiliç and Z. Kiliç

Formula: C₄₅H₅₅NO₆P₂

Online November 2000

 

Acta Cryst. (2000). C56, 1407-1410  [ doi:10.1107/S010827010001163X ]

Intermolecular O-HO hydrogen bonding in the three independent molecules of (2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acid

F. Brady and J. F. Gallagher

Formula: C₁₇H₁₅NO₄

Online November 2000

 

Acta Cryst. (2000). C56, e487-e488  [ doi:10.1107/S0108270100012518 ]

Bis[bis(diphenylphosphinomethyl)phenylphosphine]dichlorotetragold(I) bis[chlorotris(pentafluorophenyl)aurate(III)]

M. Bardají, A. Laguna and M. D. Villacampa

Synopsis: The cation of the title compound displays a rhomboidal geometry for the Au atoms, with short AuAu distances of 3.104 (2) and 3.185 (1) Å. The anion shows the expected square-planar geometry at Au^III, with the Au atom 0.022 (5) Å out of the plane of the four donor atoms.

Formula: [Au₄(C₃₂H₂₉P₃)₂Cl₂][AuCl(C₆F₅)₃]₂

Online November 2000

 

Acta Cryst. (2000). C56, e489-e490  [ doi:10.1107/S0108270100013044 ]

Tetraaqua(5-fluorouracil-1-acetato-O)copper(II) tetrahydrate

J. Huang, Y.-Z. Li, G.-C. Sun, R.-B. Dai, Q.-X. Li, L.-F. Wang and C.-G. Xia

Synopsis: In the title complex, the Cu atom, which is located on an inversion centre, is in the centre of a distorted octahedral geometry, with six O atoms provided by two monodentate carboxylate groups and four water molecules. Intra- and intermolecular hydrogen bonds make up a three-dimensional network.

Formula: [Cu(C₆H₄FN₂O₄)₂(H₂O)₄]·4H₂O

Online November 2000

 

Acta Cryst. (2000). C56, e491-e492  [ doi:10.1107/S010827010001307X ]

Redetermination of fac-tris(benzohydroxamato)iron(III) trihydrate

C. J. Marmion, T. Murphy, Z. Starikova and K. B. Nolan

Synopsis: The previously reported title compound (R = 0.12, one of water molecules disordered) has been redetermined (R = 0.041, no disorder). The complex has pseudo-octahedral geometry around the Fe^III atom. There is extensive hydrogen bonding involving the water molecules and the hydroxamate ligands.

Formula: [Fe(C₇H₆NO₂)₃]·3H₂O

Online November 2000

 

Acta Cryst. (2000). C56, e493-e494  [ doi:10.1107/S0108270100013408 ]

cis--Chloro--p-toluenethiolato-bis[chloro(triethylphosphine)palladium]

E. C. Alyea, S. Kannan and G. Ferguson

Synopsis: The title compound, prepared in the course of synthetic studies of organochalcogenide compounds of Pd^II, has bridging chloro and arylthiolato groups, with the phosphines being trans to the bridging chloro group. The four-membered metallocyclic Pd₂ClS ring is unexpectedly non-planar, with a dihedral angle of 133.8 (1)° between the PdCl₂SP coordination planes.

Formula: [Pd₂Cl₃(C₇H₇S)(C₆H₁₅P)₂]

Online November 2000

 

Acta Cryst. (2000). C56, e495-e496  [ doi:10.1107/S010827010001341X ]

Dithiocyanatobis[4,4,5,5-tetramethyl-2-(4-pyridyl-N)-1H-imidazoline-1-oxyl]zinc(II)

M. Fettouhi

Synopsis: The preparation and crystal structure of the title complex are described. The Zn^II ion adopts a distorted tetrahedral coordination. It is bonded to two thiocyanate and two pyridyl N atoms.

Formula: [Zn(NCS)₂(C₁₂H₁₆N₃O)₂]

Online November 2000

 

Acta Cryst. (2000). C56, e497-e498  [ doi:10.1107/S0108270100013482 ]

trans-Tetrachlorobis(4-methylpyridine)germanium(IV)

M. Bolte, K. Hensen and A. Faber

Synopsis: The structure of the title compound is the first example of an addition compound of GeCl₄ with two aromatic nitrogen bases. The environment around the Ge atom can be described as a slightly distorted octahedron with the 4-methylpyridine ligands occupying axial positions and the four chloro ligands in the equatorial plane. The structure of the title compound is isomorphous with the corresponding silicon halides.

Formula: [GeCl₄(C₆H₇N)₂]

Online November 2000

 

Acta Cryst. (2000). C56, e499-e500  [ doi:10.1107/S0108270100014153 ]

Complexes of germanium bromides with 4-picoline and 3,4-lutidine

M. Bolte, K. Hensen and A. Faber

Synopsis: The reactions of GeBr₄ with 4-methylpyridine and 3,4-dimethylpyridine lead to tetrabromobis(4-methylpyridine)germanium, (I), and tetrabromobis(3,4-dimethylpyridine)germanium, (II), respectively. These structures show the same features as the corresponding silicon complexes.

Formula: [GeBr₄(C₆H₇N)₂] and [GeBr₄(C₇H₉N)₂]

Online November 2000

 

Acta Cryst. (2000). C56, e501-e502  [ doi:10.1107/S0108270100013500 ]

trans-Bis[2,3-diamino-(R,S)-propionato-N,N']diaquacopper(II) dihydrate

J. Chapman, N. L. Pickett, G. Kolawole, M. Motevalli and P. O'Brien

Synopsis: The title copper complex has a center of symmetry and a distorted octahedral coordination, with four N atoms in equatorial positions and water molecules in the apical sites. The water molecule of crystallization is hydrogen bonded to the deprotonated carboxylate group of the ligand.

Formula: [Cu(C₃H₇N₂O₂)₂(H₂O)₂]·2H₂O

Online November 2000

 

Acta Cryst. (2000). C56, e503-e504  [ doi:10.1107/S0108270100013548 ]

A three-dimensional open-framework zinc arsenate, (C₄H₁₂N₂)₂[Zn₇(AsO₄)₆(H₂O)₂]

K. O. Kongshaug, H. Fjellvåg and K. P. Lillerud

Synopsis: The title compound is a new open-framework zinc arsenate, which is isostructural with the zinc phosphate UiO-17. The open three-dimensional anionic framework, made up of vertex-sharing AsO₄ tetrahedra, ZnO₄ tetrahedra and ZnO₅ trigonal bipyramids, contains a two-dimensional eight-ring channel system in which diprotonated piperazinium cations reside.

Formula: (C₄H₁₂N₂)₂[Zn₇(AsO₄)₆(H₂O)₂]

Online November 2000

 

Acta Cryst. (2000). C56, e505-e506  [ doi:10.1107/S0108270100013937 ]

Aquabis(crotonato)bis(pyridine)copper(II)

R. Baggio, B. Foxman, M. T. Garland, M. Perec and W. Shang

Synopsis: The title compound crystallizes as a monomer, with the copper ion in a pentacoordinated square-pyramidal environment, bisected by a twofold axis passing through the metal atom and the apex. The molecules organise in chains connected by hydrogen bonds running along the unique b axis.

Formula: [Cu(C₄H₅O₂)₂(C₅H₅N)₂(H₂O)]

Online November 2000

 

Acta Cryst. (2000). C56, e507-e508  [ doi:10.1107/S0108270100013007 ]

Fumaric acid-trans-cinnamamide (1/2)

H. Hosomi, S. Ohba and Y. Ito

Synopsis: In the title adduct, fumaric acid has a centre of symmetry and is connected to two trans-cinnamamide molecules through cyclic hydrogen bonds. A single-crystal photoirradiation promoted the conformational disorder of the fumaric acid.

Formula: C₄H₄O₄·2C₉H₉NO

Online November 2000

 

Acta Cryst. (2000). C56, e509-e510  [ doi:10.1107/S010827010001338X ]

4,5-Dichlorophthalic acid-trans-cinnamamide (1/2) and 3,4,5,6-tetrachlorophthalic acid-trans-cinnamamide (1/2)

H. Hosomi, S. Ohba and Y. Ito

Synopsis: In the two title adducts, (I) and (II), respectively, the dicarboxylic acid is connected to two cinnamamide molecules through cyclic hydrogen bonds. The arrangement of the C=C bonds of neighbouring cinnamamide molecules is twisted.

Formula: C₈H₄Cl₂O₄·2C₉H₉NO and C₈H₂Cl₄O₄·2C₉H₉NO

Online November 2000

 

Acta Cryst. (2000). C56, e511  [ doi:10.1107/S0108270100013391 ]

Benzene-1,2,4,5-tetracarboxylic acid-trans-cinnamamide (1/2)

H. Hosomi, S. Ohba and Y. Ito

Synopsis: In the title adduct, a hydrogen-bonded unit of the acid and two cinnamamide molecules has a crystallographic twofold axis parallel to b, and the acid molecules are linked by cyclic hydrogen bonds to form a flat zigzag along c.

Formula: C₁₀H₆O₈·2C₉H₉NO

Online November 2000

 

Acta Cryst. (2000). C56, e512-e513  [ doi:10.1107/S0108270100013019 ]

3-Tosyloxymethyltropane(N⁸-B)borane

A. S. Batsanov, J. A. K. Howard, D. O'Hagan and M. Tavasli

Synopsis: In the title compound, the tosyloxymethyl substituent is in an endo position; the BH₃ group is equatorial and the (N-bonded) methyl group is axial, relative to the six-membered heterocycle. The N-B bond of 1.649 (8) Å is one of the longest known.

Formula: C₁₆H₂₆BNO₃S

Online November 2000

 

Acta Cryst. (2000). C56, e514-e515  [ doi:10.1107/S0108270100013020 ]

A terphenyl halide series: 2,6-Trip₂H₃C₆X (Trip = 2,4,6-triisopropylphenyl; X = Cl, Br, I)

B. Twamley, N. J. Hardman and P. P. Power

Synopsis: The three title sterically encumbered terphenyl halides are isomorphous and isostructural with a plane of symmetry through the centre of the molecule. The C-X bond distances are 1.745 (3) [X = Cl, (I)], 1.910 (4) [X = Br, (II)] and 2.102 (6) Å [X = I, (III)].

Formula: C₃₆H₄₉I, C₃₆H₄₉Br and C₃₆H₄₉Cl

Online November 2000

 

Acta Cryst. (2000). C56, e516-e517  [ doi:10.1107/S0108270100013032 ]

Redetermination of ternifoline-C at 150 K

P. J. Cox, Y.-H. Meng, S. D. Sarker, Q.-Y. Deng and G. Xu

Synopsis: The relative molecular stereochemistry and crystal packing of the diterpenoid ternifoline-C at 150 K are similar to the results of a previous study probably using room-temperature data.

Formula: C₂₂H₃₂O₆

Online November 2000

 

Acta Cryst. (2000). C56, e518-e519  [ doi:10.1107/S0108270100013056 ]

5-Fluoro-1-octanoyluracil

H.-J. Lehmler and S. Parkin

Synopsis: The 5-fluoropyrimidine-2,4(1H,3H)-dione moiety of the title compound is similar to the known structure of 1-acetyl-5-fluorouracil. The 1-octanoyl group and the 5-fluorouracil moiety are essentially coplanar with the acyl carbonyl group, which is oriented towards the ring C-H group and away from the nearer ring carbonyl group.

Formula: C₁₂H₁₇FN₂O₃

Online November 2000

 

Acta Cryst. (2000). C56, e520-e521  [ doi:10.1107/S0108270100013068 ]

N-(4-Methylphenyl)-N-(5-nitrofurfuryl)-N-prop-2-ynylamine

A. Hergold-Brundic, G. Pavlovic, A. D. Mance and K. Jakopcic

Synopsis: In the title compound, the furan ring is inclined at an angle of 84.35 (4)° to the phenyl ring. The crystal structure is dominated by van der Waals forces.

Formula: C₁₅H₁₄N₂O₃

Online November 2000

 

Acta Cryst. (2000). C56, e522-e523  [ doi:10.1107/S0108270100013081 ]

meso-2,2'-Diphenyl-3,3',4,4'-tetrahydro-2,2'-bifuran-5,5'(2H,2'H)-dione

D. G. Billing, C. W. Holzapfel, K. Blann and D. B. G. Williams

Synopsis: The crystal structure of the title compound contains a crystallographic inversion center. The C-C bond linking the two halves of the molecule is slightly elongated at 1.577 (3) Å.

Formula: C₂₀H₁₈O₄

Online November 2000

 

Acta Cryst. (2000). C56, e524-e525  [ doi:10.1107/S0108270100013470 ]

Tetrakis(3,5-dimethylpyridine)dihydridosilicon dibromide bis(acetonitrile) solvate and 3,5-dimethylpyridinium bromide

M. Bolte, K. Hensen and A. Faber

Synopsis: In the course of an attempt to synthesize tetrakis(3,5-dimethylpyridine)dihydridosilicon dibromide, crystals of its acetonitrile disolvate, (I), and of 3,5-dimethylpyridinium bromide, (II), were obtained in the same reaction flask. They have both been structurally characterized.

Formula: C₂₈H₃₈N₄Si²⁺·2Br^-·2C₂H₃N and C₇H₁₀N⁺·Br^-

Online November 2000

 

Acta Cryst. (2000). C56, e526-e527  [ doi:10.1107/S0108270100013512 ]

Methyl 2-methyl-6-methylthio-1,3-dioxo-4-[(2,3,4,6-tetra-O-acetyl--D-glucopyranosyl)amino]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-7-carboxylate

J. N. Low, C. Garcia, M. Melguizo, J. Cobo, A. Sánchez, M. Nogueras and M. D. López

Synopsis: The title compound has peripheral acetyl and carbomethoxy groups which show disorder. The absolute structure, known from the starting materials, was confirmed by the analysis.

Formula: C₂₅H₂₉N₃O₁₃S

Online November 2000

 

Acta Cryst. (2000). C56, e528  [ doi:10.1107/S0108270100013524 ]

2,4,6-Trimethylphenol

B. Ziemer and O. Surygina

Synopsis: A one-dimensional connectivity of strong hydrogen bonds in this simple structure results in a b axis which is very short compared with a and c. This provides a perfect example for the concept of periodic bond-chain vectors.

Formula: C₉H₁₂O

Online November 2000

 

Acta Cryst. (2000). C56, e529-e530  [ doi:10.1107/S0108270100013536 ]

1,3,5-Tri-p-tolylbiuret

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

Synopsis: In the title compound, the biuret moiety is nearly planar and an intramolecular hydrogen bond completes a six-membered ring. Each phenyl ring of the p-tolyl groups is twisted by approximately 60-80° with respect to the others.

Formula: C₂₃H₂₃N₃O₂

Online November 2000

 

Acta Cryst. (2000). C56, e531  [ doi:10.1107/S0108270100013986 ]

Hydrogen bonding in N,N,N',N'-tetramethylethylenediammonium bis(benzeneselenolate)

A. A. Feldmann, K. Schmengler, K. Laue, S. Marose, K. Kirschbaum, O. Conrad and D. M. Giolando

Synopsis: The title crystal structure reveals hydrogen bonding between the benzeneselenolate anions and the tetramethylethylenediammonium cations.

Formula: C₆H₁₈N₂²⁺·2C₆H₅Se^-

Online November 2000

 

Acta Cryst. (2000). C56, e532  [ doi:10.1107/S0108270100013998 ]

Redetermination of 1,3,5-trichloro-2,4-dinitrobenzene

P. E. Kruger, P. R. Mackie and M. Nieuwenhuyzen

Synopsis: The crystal structure at 153 K of the title compound, an intermediate in the synthesis of 1,3,5-trichloro-2,4,6-trinitrobenzene, shows no major deviations from the previously reported structure at 295 K other than the expected contraction of the cell volume.

Formula: C₆HCl₃N₂O₄

Online November 2000

 

Acta Cryst. (2000). C56, e533  [ doi:10.1107/S0108270100014165 ]

2,4,6-Tris[2-(trimethylsilyl)ethynyl]-1,3,5-triazene: a novel precursor to C-N two-dimensional structures

J. Kouvetakis and T. L. Groy

Synopsis: The title structure consists of separate molecules arranged in sheets parallel to the ab plane. In each molecule, the central (CN)₃ ring, the ethynyl units, and the Si atoms lie in the same plane. Typical C-C and C-N bond distances are 1.197 (5) and 1.42 (4) Å, respectively. The angles inside the (CN)₃ ring range from 114 (3) to 125 (3)° and the acetylenic branches are nearly linear.

Formula: C₁₈H₂₇N₃Si₃

Online November 2000

 

Acta Cryst. (2000). C56, e534  [ doi:10.1107/S0108270100014177 ]

2-Amino-6-chloro-4-(1-phenylethylamino)pyrimidine

D. E. Lynch and I. McClenaghan

Synopsis: The structure of the title compound comprises a racemic mixture of chiral molecules associated by N-HN hydrogen-bonding interactions. The dihedral angle between the two rings is 77.90 (6)°.

Formula: C₁₂H₁₃ClN₄

Online November 2000

 

Acta Cryst. (2000). C56, e535  [ doi:10.1107/S0108270100014189 ]

4-Anilino-3-nitropyridine

D. E. Lynch and I. McClenaghan

Synopsis: The structure of the title compound comprises two unique molecules that separately form hydrogen-bonded polymer chains via N-HN interactions. Molecular independence arises due to a difference in the dihedral angles between the linked rings, i.e. 52.19 (4) and 46.17 (5)°.

Formula: C₁₁H₉N₃O₂

Online November 2000

 

Acta Cryst. (2000). C56, e536  [ doi:10.1107/S0108270100014190 ]

4,6-Dichloro-2-(methylthio)pyrimidine

D. E. Lynch and I. McClenaghan

Synopsis: The structure of the title compound comprises six symmetry unique molecules that vary only slightly in their N-C-S-C torsion angle. All the molecules are planar to within less than 3.1°.

Formula: C₅H₄Cl₂N₂S

Online November 2000

 

Acta Cryst. (2000). C56, e537  [ doi:10.1107/S0108270100014207 ]

2-Chloro-3-morpholino-1,4-naphthoquinone

D. E. Lynch and I. McClenaghan

Synopsis: The structure of the title compound comprises essentially planar molecules stacked parallel to the a axis. C-HO hydrogen-bonding interactions exist to both naphthoquinone O atoms and the Cl atom, but not to the morpholine O atom.

Formula: C₁₄H₁₂ClNO₃

Online November 2000

 

Acta Cryst. (2000). C56, e538  [ doi:10.1107/S0108270100012993 ]

24(R)-Acetyloxy-1,2-epoxycholesta-4,6-dien-3-one hydrate. Erratum

K. Rajalakshmi, V. Pattabhi, C. S. Venkatesan, G. Nadamuni and A. Srikrishna

Synopsis: Erratum to Acta Cryst. (2000), C56, e307-308.

Formula: C₂₉H₄₂O₄·H₂O

Online November 2000