Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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CRYSTALLOGRAPHIC
COMMUNICATIONS

Volume 60| Part 3

ISSN: 2056-9890

March 2004 issue

Highlighted illustration

Cover illustration: Oospolactone is a simple isocoumarin which has been extensively studied as an antifungal and anticancer agent over the past 40 years. As in related isocoumarins, it involves an intramolecular hydrogen bond between the hydroxy group and the lactone keto O atom. See Twamley, Zawadzka & Paszczynski [Acta Cryst. E60, o370-o371].

inorganic compounds

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CsLa(PO₃)₄

T. Sun, G. Shen, X. Wang, R. Wang, J. Wei and D. Shen

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Hexaaquacopper(II) diperchlorate dihydrate

X.-H. Li, F.-Y. Xia, H.-P. Xiao and M.-L. Hu

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A novel protonated hexatungstoplatinate(IV), Na_5.5[H_2.5PtW₆O₂₄]·17H₂O

U. Lee and H.-C. Joo

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Ammonium heptanitrosyltrithiotetraferrate monohydrate

L. L. Martin, G. D. Fallon and B. Wu

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Redetermination of mercury(II) hydroxide chlorate(V)

D. Göbbels and M. S. Wickleder

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Cs₃Hf₂(P₂S₇)₂(PS₄)

A. Gutzmann, C. Näther and W. Bensch

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Sodium pentafluorouranate(IV) monohydrate, Na[UF₅]·H₂O

A. Fischer and Z. Szabó

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[(NH₄)₂(Mo₄O₁₃)]_n: a novel two-dimensional polyoxomolybdate(VI) framework

A. Briceño and R. Atencio

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metal-organic compounds

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(N-2-Aminophényl-5-méthylpyrazolylacétamide)nickel(II) dimethanole dichlorure

F. Sbai, R. Regragui, E. Essassi, A. Kenz and M. Pierrot

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μ-Terephthalato-bis[aquachloro(1,10-phenanthroline)copper(II)]

H.-P. Xiao, X.-H. Li, M.-D. Ye and M.-L. Hu

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Di-μ-α-pyrrolidinonato-bis[cis-diamminechloroplatinum(III)] sulfate dihydrate: a head-to-head isomer

K. Sakai, I. Sakai, T. Kajiwara and T. Ito

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Pentacyanoferrate(III)-μ-cyano-[triaquatetrakis(dimethylformamide)gadolinium(III)] monohydrate

J.-R. Li, L.-Z. Cai, G.-C. Guo, X.-H. Bu and J.-S. Huang

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Diaquabis(4,5-diazafluoren-9-one-κ²N,N′)zinc(II) diperchlorate

R.-L. Zhang, J.-S. Zhao, S.-Y. Yang and S. W. Ng

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Tetra-μ-acetato-bis[aquacopper(II)]–4,5-diazafluoren-9-one (1/2)

J.-S. Zhao, R.-L. Zhang, S.-Y. Yang and S. W. Ng

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Diaquabis[2,5-bis(4-pyridyl)-1,3,4-thiadiazole]dithiocyanatocobalt(II) dihydrate

M. Du and X.-J. Zhao

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Aqua(2,2′-diamino-4,4-bi-1,3-thiazole-κ²N,N′)(oxydiacetato-κ³O,O′,O′′)cobalt(II) monohydrate

Y. Luo, D.-J. Xu, Z.-Y. Wu, J.-Y. Wu and M. Y. Chiang

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Di-μ-α-pyrrolidinonato-bis[cis-diammineplatinum(II)] sulfate monohydrate as a head-to-head isomer

K. Sakai, I. Sakai, N. D. Draper and D. B. Leznoff

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Aqua[tris(1H-benzimidazol-2-ylmethyl)amine]copper(II) diperchlorate 4-picoline N-oxide monohydrate

H. L. Wu, Y. Z. Li and Y. C. Gao

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Bis(2-methylbenzimidazole-κN¹)copper(I) dichlorocuprate(I)

E. Goreshnik, D. Schollmeyer and M. Mys'kiv

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Tetrakis(1,3-dimethylimidazolidinium-2-dithiocarboxylate-κS)zinc(II) diperchlorate

T. Fujihara, T. Sugaya, A. Nagasawa and J. Nakayama

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Chloro(diethylamino)tris(μ-diethylcarbamato)dizinc(II): an example of the generality of the threefold paddlewheel structure in carbamatozinc chemistry

C. S. McCowan, C. E. Buss, V. G. Young Jr, R. L. McDonnell and M. T. Caudle

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(S,S_p)-2-[4-(1-Methylethyl)-4,5-dihydrooxazol-1-yl]ferrocenecarboxylic acid

P. Štěpnička and I. Císařová

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A new mixed-valence Cu^II/Cu^I complex: chlorobis(1,10-phenanthroline)copper(II) dichlorocuprate(I)

H.-F. Yang, C.-C. Huang, H.-H. Zhang, Y. Liu, Z.-X. Lian and G.-C. Xiao

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Aquabis(1,5-dimethyl-2-phenyl-4-{[(E)-4-pyridylmethylene-κN]amino}pyrazolidin-3-one)dinitratonickel(II)

H. Liang, X.-W. Wang, Z.-F. Chen, L. Huang, H.-L. Zou, J. Zhou and K.-B. Yu

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Aqua(malonato-κ²O,O′)(pyridine-2-carboxamide-κ²N¹,O)copper(II) monohydrate

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Chloro(1-methoxymethyl-π-allyl)(pyridine-κN)palladium(II)

D. A. Cheshkov, B. A. Belyaev, A. P. Belov and V. B. Rybakov

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Bis(N,N′-diphenylacetamidinato)ethylindium(III)

D. R. Aris, J. Barker, W. Errington and M. G. H. Wallbridge

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Bis{(E)-6-methoxy-2-[(4-methylphenyl)iminomethyl]phenolato}cobalt(II)

P. A. Iyere, W. Y. Boadi and L. Ross

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Bis(ferrocenyl methyl ketone thiosemicarbazone-κ²N,S)zinc tetrahydrofuran hemisolvate

X. Li, X.-G. Cui, X.-G. Liu and X.-F. Li

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[1,8-Bis(2-benzyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) diperchlorate

Y.-W. Li, H. Xiang, T.-B. Lu and S. W. Ng

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(1,8-Di-n-propyl-1,3,6,8,10,13-hexaazacyclotetradecane)nickel(II) diperchlorate

Y.-W. Li, H. Xiang, T.-B. Lu and S. W. Ng

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[1,8-Bis(2-phenylethyl)-1,3,6,8,10,13-hexaazacyclotetradecane]nickel(II) bis(tetrafluoroborate)

Y.-W. Li, H. Xiang, T.-B. Lu and S. W. Ng

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catena-Poly[[(3,10-diethyl-1,3,5,8,10,12-hexaazacyclotetradecane)nickel(II)]-μ-terephthalato]

Y.-W. Li, H. Xiang, T.-B. Lu and S. W. Ng

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Bis(piperidinium) trans-dichlorobis(3,5-dinitrobenzoato)zincate(II)

E. B. Miminoshvili, A. N. Sobolev, K. E. Miminoshvili and T. N. Sakvarelidze

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Bis(triethanolamine-κ³N,O,O′)copper(II) squarate

I. Ucar, O. Z. Yesilel, A. Bulut, H. Icbudak, H. Olmez and C. Kazak

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(1S,2S)-[1,1′-Bis(4-methoxyphenyl)-3,3′-(1,2-cyclohexanediyldinitrilo)diprop-1-enethiolato-κ⁴S,N,N′,S′]nickel(II)

M. Evain, D. Deniaud and J. C. Meslin

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Diisothiocyanatotetrapyridinecopper(II)

J. B. Gary, J. A. Kautz, K. K. Klausmeyer and C.-W. Wong

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Bis(3-amino-5-methylisoxazole-κN)dichlorozinc(II)

L. Shen, M. C. Li, Z. M. Jin, M. L. Hu and R. C. Xuan

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Cadmium binicotinate

X.-C. Huang, L.-Y. Zhang, X.-M. Chen and S. W. Ng

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[N,N′-Bis(2-furylmethylene)ethylenediamine]dichlorozinc(II)

W. Wang, J. Li, G.-X. Du and F.-X. Zhang

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μ-Terephthalato-bis[chloro(1,10-phenanthroline)cobalt(II)]

H.-P. Xiao, M.-L. Hu and X.-H. Li

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A dinuclear nickel(II) complex of the ligand 2,6-bis[2-(dimethylamino)ethyliminomethyl]-4-methylphenol

H. Adams, S. Clunas and D. E. Fenton

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trans-Bis(2-amino-1,3-benzothiazole-κN³)dichlorocopper(II)

W. Maniukiewicz

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Bis[(S)-(–)-1-phenylethylammonium] tetrachloropalladate(II)

S. Cruz-Cruz, M. Rodríguez-Pastrana, S. Bernès and R. Gutiérrez-Pérez

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Tetrakis(anilinium) hexachlorotin(IV) dichloride

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organic compounds

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Methyl 4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carboxylate

M. Dinçer, N. Özdemir, İ. Yıldırım, E. Demir, Y. Akçamur and Ş. Işık

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Diethyl 1H-pyrazole-3,5-dicarboxylate

C. Yin, F. Huo, F. Gao and P. Yang

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5-(Furan-2-yl)-1,3,4-oxadiazole-2(3H)-thione

S. Öztürk, M. Akkurt, A. Cansız, A. Çetin, M. Şekerci and F. W. Heinemann

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5-(4-Bromophenyl)-3-phenyl-1-(3-phenylpropyl)-1H-pyrazole

J. N. Low, J. Cobo, F. Arroyabe, H. Torres, R. Abonia and C. Glidewell

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5-(4-Pyridyl)-1,3,4-oxadiazole-2(3H)-thione

M. Du, X.-J. Zhao and J.-H. Guo

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4-(Trimethylsilyl)benzoic acid

M. C. Haberecht, H. Vitze, H.-W. Lerner and M. Bolte

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7β,14β-Epoxyhydrocodone-6,6-dimethoxy ketal: an unusual oxetane-containing opioid

J. R. Deschamps, A. Coop, D. A. Parrish and K. C. Rice

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A peracetylated glucosyl ester of kaurenic acid

A. J. Mora, G. E. Delgado, G. B. M. Vaughan, P. Martin, T. Visbal and A. Usubillaga

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3-[2-(N,N-Diethylamino)glyoxyloyl]-1H-indol-4-yl acetate monohydrate

H.-Q. Wu, J.-L. Zhou, Z.-S. Huang, L.-Q. Gu and S. W. Ng

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2-[(1,3-Benzodioxol-5-yl)methylene]-6,7-dihydro-5H-thiazolo[3,2-a]pyrimidin-3-one

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3-(6-Benzoyl-5-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid

A. Aydın, T. Önkol, M. Akkurt, O. Büyükgüngör and S. Ünlü

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Ethyl 2-(2,4-dichlorobenzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate dichloromethane solvate

X.-G. Liu, Y.-Q. Feng, X.-F. Li and Z.-P. Liang

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1,4-Bis(8-quinolyloxymethyl)benzene

P. J. Steel and M. R. A. Al-Mandhary

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Potential injectable contraceptive steroids: testosterone buciclate

N. W. Alcock, K. J. Sanders and A. Rodger

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exo-(1RS,8SR,9RS,11SR)-10-Chloromethyltetracyclo[6.3.2.0^2,70^9,11]undecane-2,4,6,12-tetraene

U. Çoruh, T. Hökelek, E. M. Vázquez-López, A. Menzek, C. Kazaz and M. E. Şengül

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Bis(tetraethylammonium) 2,2′-bipyridine-4,4′-dicarboxylate tetrahydrate

T. Fujihara, A. Kobayashi and A. Nagasawa

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1-[(3-Hydroxypyridin-2-ylamino)methylene]naphthalen-2(1H)-one

A. Özek, S. Yüce, Ç. Albayrak, M. Odabaşoğlu and O. Büyükgüngör

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Diacenaphtheno[7,8-b:7¹,8¹-d]thiophene

O. C. Musgrave and J. M. S. Skakle

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4,5-Bis(2-tert-butylphenoxy)phthalonitrile

N. Ocak, Ş. Işık, N. Akdemir, C. Kantar and E. Ağar

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2-(Benzoylmethylsulfanyl)-6-methoxy-1H-benzimidazole

D. E. Lynch and I. McClenaghan

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(+)-1-{(2S)-2-(2,4-Dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl}-1H-imidazole mononitrate [(+)-(S)-miconazole nitrate]

O. M. Peeters, N. M. Blaton, C. Aeschlimann and J. Gal

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(+)-cis-1-Acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine [(2R,4S)-(+)-ketoconazole]

O. M. Peeters, N. M. Blaton, J. G. Gerber and J. Gal

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8-Hydroxy-3,4-dimethylisocoumarin

B. Twamley, A. Zawadzka and A. J. Paszczynski

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2-(Benzhydrylsulfinyl)acetamide

W. Pei, L. Sun, Y. Shao and D. Li

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(5SR,6RS)-6-Phenyl-5-(phenylsulfonylacetyl)bicyclo[2.2.1]hept-2-ene

W. Pei, Y. Shao and L. Sun

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4-Hydroxy-6-methyl-2-(sulfonatoethylsulfanyl)pyrimidin-1-ium monohydrate

D. E. Lynch and I. McClenaghan

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Methyl 3,4-di-O-pivaloyl-β-D-xylopyranoside

B. Prugovečki, D. Matković-Čalogović, V. Petrović and S. Tomić

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(1SR,2SR,4SR)-7-Oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid

L. Gartenmann Dickson, J. Hauser, A. Blaser, J.-L. Reymond and H.-B. Bürgi

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N-Allyl-N-(2-nitrobenzenesulfonyl)-L-leucine methyl ester

L. F. Bornaghi, S.-A. Poulsen and P. C. Healy

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DL-Threoninium maleate at 150 K

K. Rajagopal, E. Ramachandran, A. Mostad and S. Natarajan

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4-(2-Hydroxyphenyliminomethylene)phenol

C. C. Ersanlı, Ç. Albayrak, M. Odabaşoğlu and A. Erdönmez

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2,3-Dihydro-5,6-dimethyl-1,4-dithiine 1,1,4-trioxide

R. J. Strunk, A. D. Brewer, G. Ferguson and A. J. Lough

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[(Z)-3-Dimethylamino-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)allylidene]dimethylammonium hexafluorophosphate

J. D. Crane and S. M. Daniels

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4-Acetylanilinium chloride monohydrate

C. C. Ersanlı, M. Odabaşoğlu, Ç. Albayrak, O. Büyükgüngör and A. Erdönmez

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N-(8-Quinolyl)-o-phenylenediamine

T. Seshadri, U. Flörke and G. Henkel

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N-(8-Quinolyl)-o-(1,1,3,3-tetramethylguanidino)phenylamine

T. Seshadri, U. Flörke and G. Henkel

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rac-(1R,11R,14S,18R)-Methyl 18-hydroxy-19-oxotricyclo[9.7.1.0^1,14]nonadecane-11-carboxylate

S. Fresu, M. Schürmann, H. Preut and P. Eilbracht

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N-(3-Chloro-4-methylphenyl)-N′-hydroxy-2-oxo-2-phenylacetamidine

T. Hökelek, O. Büyükgüngör, M. Taş and H. Batı

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6-Nitro-2-propyl-1H-indole

X. Huang, Q.-F. Zhang and H. H. Y. Sung

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( $\pm$ )-5-(3,4-Dimethoxyphenyl)-1-phenylpyrazolidin-3-one

H.-J. Zhu, J. Ma, C.-M. Wei and J.-T. Wang

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2-Bromo-1,3-dipyrrolidin-1-ylpropane-1,3-dionate bromide

J. D. Crane and R. P. Bunce

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Dimethyl 4-bromo-1-methyl-3,5-pyrazoledicarboxylate

F. Huo, W. Guo, C. Yin, P. Yang and C. Xia

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The Baylis–Hillman adduct of 4-nitrobenzaldehyde and cyclohex-2-en-1-one: 2-[hydroxy(4-nitrophenyl)methyl]-cyclohex-2-en-1-one

F. Huo, C. Yin, W. Guo, C. Xia and P. Yang

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(E)-2-Phenylbenzaldehyde oxime forms hydrogen-bonded C₂²(6) chains

C. Glidewell, J. N. Low, J. M. S. Skakle and J. L. Wardell

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4-(4-Chlorophenyl)-3-(furan-2-yl)-1H-1,2,4-triazole-5(4H)-thione

S. Öztürk, M. Akkurt, A. Cansız, M. Koparır, M. Şekerci and F. W. Heinemann

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Tetrakis[(4-phenylpiperazin-1-yl)methyl]methane

W. Xu, Y.-X. Lu, P. Guo, H. Zhou and B.-J. Lan

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(1-Phenyl-2,3-dihydro-1H-benzimidazol-2-ylidene)malonodinitrile

Y.-X. Lu, P. Guo, Y.-Z. Cai, W. Xu, L.-H. Weng and Y.-M. Huang

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5,5′-Dimethyl-2,2′-bipyrazine

C. Eller, B. W. Smucker, R. Kirgan, D. M. Eichhorn and D. P. Rillema

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2,7-Bis(3,4-dicyanophenoxy)naphthalene

N. Ocak, Ş. Işık, N. Akdemir, E. Ağar and I. E. Gümrükçüoğlu

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2-Amino-N-(2-chlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Vasu, K. A. Nirmala, D. Chopra, S. Mohan and J. Saravanan

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2-(2-Pyridylamino)pyridinium nitrate monohydrate: two-dimensional supramolecular aggregation through hydrogen-bonding and π–π stacking interactions

M. Du and X.-J. Zhao

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5-(8-Hydroxyquinolyl)guanidinium dichloride

C.-M. Wei, T. Jiang, Y.-Z. Li, H.-J. Zhu and J.-T. Wang

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1,3-Di-tert-butyl-6-(phenylethynyl)fulvene

P. G. Jones, H. Berger, P. Bubenitschek and H. Hopf

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10-Phenyl-10-phenylethynyl-9-methylenefluorene

P. G. Jones, H. Berger, P. Bubenitschek and H. Hopf

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(Z)-4-(tert-Butylamino)-4-oxo-2-butenoic acid

K. Takahashi, T. Okamura, H. Yamamoto and N. Ueyama

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2,3-Dihydro-4-phenyl-1,4-benzoxazine-6,7-dicarbonitrile

N. Karadayı, E. Akyüz, B. Kahveci, E. Ağar, S. Şaşmaz and O. Büyükgüngör

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Guanidinium 4-hydroxy-3-carboxybenzenesulfonate

X.-L. Zhang, X.-M. Chen and S. W. Ng

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4,4′-Bipyridinium 1,5-naphthalenedisulfonate dihydrate

X.-L. Zhang, X.-M. Chen and S. W. Ng

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2,6-Bis(hydroxymethyl)-4-methylphenol benzylidene 1,2-acetal

C. Yin, F. Huo, F. Gao and P. Yang

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1,4-Diacetyl-1,2,4-triazolin-5-one

R. Crockett, A. R. Forrester and R. A. Howie

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Bis(melaminium) terephthalate dihydrate

J. Zhang, Y. Kang, Y.-H. Wen, Z.-J. Li, Y.-Y. Qin and Y.-G. Yao

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Ethyl 5-(2,6-dichlorophenyl)-7-methyl-2-(1-naphthylmethylene)-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate

X.-G. Liu, Y.-Q. Feng, X.-F. Li and B. Gao

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9-Bromo-4-methyl-2-phenylbenzo[de]cyclobut[i]isoquinoline-3,5(2H)-dione

Q.-J. Liu and J.-H. Xu

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2,3,-exo,exo-5,6-Tetrabromobicyclo[2.2.1]hept-2-ene

İ. Çelik, O. Çakmak, M. Akkurt, C. C. Ersanlı and O. Büyükgüngör

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2-Benzyl-1-hydroxy-5,6-dihydro-3H-naphtho[2,1-b]pyran-3-one

C. Wentrup, J. Buchanan, K. A. Byriel and C. H. L. Kennard

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4-tert-Butyl-2-(4-pyridyl)-N,N′-bis(trimethylsilyl)propane-1,3-diimine

X. Chen, L. Wang, S.-P. Huang and D.-S. Liu

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addenda and errata

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8-Chloro-5-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,5]benzoxazepine. Erratum

L. Dupont and J.-F. Liégeois

Erratum to Acta Cryst. (2003), E59, o1962–o1963..

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Research communications

The first papers in this new format were published in July 2014. Research communications are longer papers with new text sections designed to help authors bring out the science behind their structure determinations. Figures are included in the published paper and, for the first time in Acta E, individual reports are not limited to single structure determinations. The Research communications format will make Acta E the natural home for structure determinations with interesting science to report.

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S. BattenX.-M. ChenG. R. DesirajuL. R. FalvelloS. García-GrandaJ. A. K. HowardS. ParsonsI. D. Williams

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