Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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CRYSTALLOGRAPHIC
COMMUNICATIONS

Volume 70| Part 1

ISSN: 2056-9890

January 2014 issue

Highlighted illustration

Cover illustration: Electron donor–acceptor molecules play an important role in the understanding of charge-transfer processes. In the compound C₂₄H₁₉N, the electron donor N,N-dimethylaniline (DMA) is covalently linked to the electron acceptor pyrene (Py). The structural and physical characteristics of these donor and acceptor groups strongly influence the electron-transfer mechanism, which leads to unusual absorption and emission spectra in the optical regime of PyDMA, making it a molecular diode in which electron-donor and electron-acceptor moieties are twisted against each other, thus modulating the electron charge-transfer processes. The dimethylamino group is inclined to the benzene ring by 2.81 (9)°. The mean plane through these groups makes a dihedral angle of 64.12 (2)° with the mean plane of the pyrene ring system. See: Thekku Veedu, Scholz, Kia, Paulmann & Techert [Acta Cryst. (2014). E70, o16].

inorganic compounds

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Dilithium manganese(II) catena-tetrakis(polyphosphate), Li₂Mn(PO₃)₄

M. Moutataouia, M. Lamire, M. Saadi and L. El Ammari

CCDC reference: 974169

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Pentalanthanum zinc diplumbide, La₅Zn_1−xPb_2+x (x ≃ 0.6)

I. Oshchapovsky, V. Pavlyuk, G. Dmytriv and B. Harbrecht

CCDC reference: 976613

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Nickel(II) uranium(IV) trisulfide

M. D. Ward and J. A. Ibers

CCDC reference: 976882

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Potassium trinickel(II) orthophosphate diphosphate, KNi₃(PO₄)P₂O₇

M. Moutataouia, M. Lamire, M. Saadi and L. El Ammari

CCDC reference: 977736

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The aluminoarsenate Na_1.67K_1.33Al₃(AsO₄)₄

M. A. Bouhassine and H. Boughzala

CCDC reference: 977083

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metal-organic compounds

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Dichlorido{8-[2-(dimethylamino)ethylamino]quinoline-κ³N,N′,N′′}zinc

A.-R.H. Al-Sudani

CCDC reference: 969762

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(6-Chloropyridazin-3-yl)ferrocene

G.-Q. Shi, W.-E. Zhao, X.-H. Zhao and L.-Y. Hao

CCDC reference: 972112

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Poly[bis(μ₄-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato-κ⁴O¹:O^1′:O⁴:O^4′)bis(tetrahydrofuran-κO)dizinc]

S. B. Choi, Y. H. Jhon, N. Ko and J. K. Yang

CCDC reference: 973266

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catena-Poly[[diaquabis(4-formylbenzoato-κO¹)copper(II)]-μ-pyrazine-κ²N:N′]

F. Çelik, N. Dilek, N. Çaylak Delibaş, H. Necefoğlu and T. Hökelek

CCDC reference: 973941

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Bis(4-aminopyridinium) hexaaquanickel(II) bis(sulfate)

T. Sahbani, W. Smirani Sta and M. Rzaigui

CCDC reference: 974558

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Bis(hydroxyammonium) hexachloridoplatinate(IV)–18-crown-6 (1/2)

E. Bulatov, A. Afanasenko, T. Chulkova and M. Haukka

CCDC reference: 968918

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(1,4,7,10,13,16-Hexaoxacyclooctadecane-κ⁶O)bis(tetrahydrofuran-κO)potassium bis[(1,2,3,4-η)-anthracene]cobalt(−I) tetrahydrofuran monosolvate

H. He, W. Klein and T. F. Fässler

CCDC reference: 974481

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An acetonitrile solvatomorph of dichlorido(1,10-phenanthroline-5,6-dione)platinum(II)

A. Hamala, C. Fritz, G. Rawji and V. Lynch

CCDC reference: 974560

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1-(Bromomercurio)ferrocene

J. M. Breunig, H.-W. Lerner and J. W. Bats

CCDC reference: 975183

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Tri-μ-chlorido-bis[(η⁵-pentamethylcyclopentadienyl)rhodium(III)] hexafluoridophosphate from synchrotron radiation

L. Ezzedinloo, S. Shrestha, M. Bhadbhade and S. Colbran

CCDC reference: 974403

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Bis(μ₂-isopropylimido-κ²N:N)bis[(η⁵-cyclopentadienyl)(ethenolato-κO)titanium(IV)]

M. Haehnel, A. Spannenberg and U. Rosenthal

CCDC reference: 975548

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trans-Dichloridobis(pyridazine-κN)palladium(II)

B. Laramée and G. S. Hanan

CCDC reference: 974817

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Diaquabis(2-ethyl-5-methylimidazole-4-sulfonato-κ²N³,O)nickel(II) dihydrate

A. P. Purdy and R. J. Butcher

CCDC reference: 973660

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Iodidobis(morpholine-4-carbodithioato-κ²S,S′)(1,10-phenanthroline-κ²N,N′)bismuth(III)

F. Li, H. Yin and G. Wu

CCDC reference: 283571

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Bis(μ₂-benzoato-κ²O:O′)bis[(benzoato-κ²O,O′)bis(4,4′-bipyridine-κN)cobalt(II)]–benzoic acid (1/6)

R. Peña-Rodríguez, J. M. Rivera, R. Colorado-Peralta, A. M. Duarte-Hernández and A. Flores-Parra

CCDC reference: 942607

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Poly[μ-aqua-bis(μ₅-2,4-dichlorobenzoato)dipotassium]

CCDC reference: 976400

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catena-Poly[{μ₃-3,3′-[(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(methylene)]dibenzoato}cobalt(II)]

L. Liao, C. W. Ingram, J. Bacsa and C. Parker

CCDC reference: 975042

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catena-Poly[[triaquamagnesium]-μ₂-malonato]

T. de Klijn and M. Lutz

CCDC reference: 978078

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Tetra-μ-acetato-κ⁸O:O′-bis[(pyridine-2-carbonitrile-κN¹)copper(II)]

M. Luo, L. Wang and J.-C. Zhang

CCDC reference: 977803

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Bis(4-aminobenzenesulfonamide-κN⁴)dichloridozinc

S. Benmebarek, M. Boudraa, S. Bouacida, H. Merazig and G. Dénès

CCDC reference: 977963

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organic compounds

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Ethyl 6-methyl-2-oxo-4-[4-(1H-tetrazol-5-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate–dimethylformamide–water (2/1/1)

H.-Y. Ouyang, Y.-Q. Chang and L. Zhao

CCDC reference: 973789

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Bis(benzylammonium) dihydrogen diphosphate

A. B. Saad, A. Elboulali, N. Ratel-Ramond, R. Mohamed and S. A. Toumi

CCDC reference: 974273

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2,6-Bis(bromomethyl)pyridine

O. Cuzan, T. Straistari, C. Turta and M. Réglier

CCDC reference: 974024

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Benzyltris[2-(dibenzylamino)ethyl]ammonium iodide

M. J. Bello, S. E. Brady, L. N. Zakharov and D. R. Tyler

CCDC reference: 972778

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4-Methyl-N-(4-methylphenylsulfonyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide

R. M. Carballo, S. Hernández-Ortega, N. Padilla-Montaño, R. Reyes-Martínez and G. Mirón-López

CCDC reference: 975462

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(E)-2-Methyl-3-phenylselanyl-4-(phenylsulfinyl)oct-3-en-2-ol

J. Wu and C. Chen

CCDC reference: 971015

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The 1:1 co-crystal of triphenyl(2,3,5,6-tetrafluorobenzyl)phosphonium bromide and 1,1,2,2-tetrafluoro-1,2-diiodoethane

G. Cavallo, P. Metrangolo, F. Meyer, T. Pilati, G. Resnati and G. Terraneo

CCDC reference: 974492

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2-[(E)-2-(4-Ethoxyphenyl)ethenyl]-1-methylquinolinium 4-fluorobenzenesulfonate

H.-K. Fun, T. Kobkeatthawin, P. Ruanwas, C. K. Quah and S. Chantrapromma

CCDC reference: 974454

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Dimethyl 2-[2-(2,4,6-trichlorophenyl)hydrazin-1-ylidene]butanedioate

M. K. Usha, S. Shetty, B. Kalluraya, R. Kant, V. K. Gupta and D. Revannasiddaiah

CCDC reference: 967565

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2-(4-Fluorophenyl)-1-(3-methoxyphenyl)-4,5-dimethyl-1H-imidazole

S. Rizwana Begum, R. Hema, N. Srinivasan and A. G. Anitha

CCDC reference: 974443

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4-Nitrophenylhydrazinium picrate monohydrate

H. Cai, B. Liu and Q. Qiao

CCDC reference: 974388

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N,N-Dimethyl-4-(pyren-1-yl)aniline

S. Thekku Veedu, M. Scholz, R. Kia, C. Paulmann and S. Techert

CCDC reference: 974735

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4-Formyl-2-nitrophenyl 3-nitro-2-methylbenzoate

R. Moreno-Fuquen, G. Hernández and A. R. Kennedy

CCDC reference: 974567

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4-Amino-12-methylsulfonyloxy-[2.2]paracyclophane

X. Meng, W. Duan and Y. Han

CCDC reference: 974579

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5-(3,5-Difluorophenyl)-1-(4-fluorophenyl)-3-trifluoromethyl-1H-pyrazole

K. E. Manoj Kumar, P. A. Suchetan, B. S. Palakshamurthy, S. Madan Kumar, N. K. Lokanath and S. Sreenivasa

CCDC reference: 974623

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1,1′-(Diselanediylbis{[P,P-diphenyl-N-(trimethylsilyl)phosphorimidoyl]methanylylidene})bis[1,1-diphenyl-N-(trimethylsilyl)-λ⁵-phosphanamine] pentane disolvate

R. Thirumoorthi, T. Chivers and R. S. Laitinen

CCDC reference: 974699

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5′′-Benzylidene-5-chloro-1′,1′′-dimethyl-4′-phenyldispiro[indoline-3,2′-pyrrolidine-3′,3′′-piperidine]-2,4′′-dione

I. S. A. Farag, A. S. Girgis, A. A. Ramadan, A. M. Moustafa and E. R. T. Tiekink

CCDC reference: 917323

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1-[2-Hydroxy-4-(prop-2-yn-1-yloxy)phenyl]ethanone

V. Selvarani, M. A. Neelakantan, T. Srinivasan and D. Velmurugan

CCDC reference: 966316

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3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione

A. A. El-Emam, H. M. Al-Tuwaijri, E. S. Al-Abdullah, C. S. Chidan Kumar and H.-K. Fun

CCDC reference: 974874

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3,6-Dichloro-9-(prop-2-yn-1-yl)-9H-carbazole

J. T. Mague, M. Akkurt, S. K. Mohamed, A. H. Mohamed and M. R. Albayati

CCDC reference: 974842

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1-Nitro-9H-carbazole

P. Kautny and B. Stöger

CCDC reference: 974754

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2-{2-[5-(4-Cyano-5-dicyanomethylidene-2,2-dimethyl-2,5-dihydrofuran-3-yl)penta-2,4-dienylidene]-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl}ethyl 3,5-bis(benzyloxy)benzoate

G. J. Gainsford, M. D. H. Bhuiyan and A. J. Kay

CCDC reference: 975051

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N′-Benzylidene-2-chloro-N-(4-chlorophenyl)acetohydrazide

N. Vinutha, S. Madan Kumar, P. C. Shyma, B. Kalluraya, N. K. Lokanath and D. Revannasiddaiah

CCDC reference: 974925

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(E)-3-[(Dimethylamino)methylidene]-4-phenyl-1-(prop-2-ynyl)-1H-1,5-benzodiazepin-2(3H)-one

M. Loughzail, A. Baouid, F. A. Almeida Paz, J. A. S. Cavaleiro and E. H. Soumhi

CCDC reference: 975297

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2,4-Dichloro-N-[ethyl(2-hydroxyethyl)carbamothioyl]benzamide

B. M. Yamin, S. Sapari and S. A. Hasbullah

CCDC reference: 975069

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N-(2-Chloro-5-nitrophenyl)-N′-(3-chloropropionyl)thiourea

B. M. Yamin, S. K. C. Soh and S. F. M. Yusoff

CCDC reference: 974672

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2-Isopropyl-5-methylcyclohexyl quinoline-2-carboxylate

E. Fazal, J. P. Jasinski, B. J. Anderson, B. S. Sudha and S. Nagarajan

CCDC reference: 975532

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4-(4-Aminophenylsulfonyl)anilinium toluene-4-sulfonate

G. Smith and U. D. Wermuth

CCDC reference: 975481

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6a-Nitro-6-(2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4′,5′-d]pyran-5-yl)-6a,6b,7,8,9,11a-hexahydro-6H-spiro[chromeno[3,4-a]pyrrolizine-11,11′-indeno[1,2-b]quinoxaline]

T. Anuradha, J. Naga Siva Rao, P. R. Seshadri and R. Raghunathan

CCDC reference: 974343

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(1Z)-1-(1-Benzofuran-2-yl)ethanone oxime

D. B. Arunakumar, R. D. Nivedita, S. Sreenivasa, S. Madan Kumar, N. K. Lokanath and P. A. Suchetan

CCDC reference: 975717

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2-(1-Benzothiophen-2-yl)-4H-1,3,4-oxadiazin-5(6H)-one

H.-S. Sun, Y.-L. Li, N. Xu and L.-J. Shen

CCDC reference: 975730

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4-Chloro-2-[(E)-(4-fluorophenyl)iminomethyl]phenol

CCDC reference: 975729

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5-Chloro-5′′-(4-chlorobenzylidene)-4′-(4-chlorophenyl)-1′′-ethyl-1′-methyldispiro[indoline-3,2′-pyrrolidine-3′,3′′-piperidine]-2,4′′-dione

I. S. A. Farag, A. S. Girgis, A. A. Ramadan, A. M. Moustafa and E. R. T. Tiekink

CCDC reference: 917324

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2-(3-Cyano-4-{3-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydroindol-2-ylidene]prop-2-enyl}-5,5-dimethyl-5H-furan-2-ylidene)malononitrile

G. J. Gainsford, M. D. H. Bhuiyan and A. J. Kay

CCDC reference: 975723

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4-Chloro-N′-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]benzohydrazide

S. K. Mohamed, J. T. Mague, M. Akkurt, A.-A.M. Jaber and M. R. Albayati

CCDC reference: 975733

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4-Amino-3-(4-hydroxybenzyl)-1H-1,2,4-triazole-5(4H)-thione

B. K. Sarojini, P. S. Manjula, M. Kaur, B. J. Anderson and J. P. Jasinski

CCDC reference: 976026

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5,5,7,12,12,14-Hexamethyl-1,8-bis(4-nitrobenzyl)-1,4,8,11-tetraazacyclotetradecane

K. Gayathri, S. Sathya, G. Usha, G. Ramanjaneya Reddy and S. Balasubramanian

CCDC reference: 972725

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The chalcone ethyl 2-[4-(2-{2,4-bis[(ethoxycarbonyl)methoxy]benzoyl}ethenyl)phenoxy]acetate

CCDC reference: 975718

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(2E)-2-(1,3-Benzothiazol-2-yl)-3-(dimethylamino)prop-2-enenitrile

S. K. Mohamed, M. Akkurt, B. M. Kariuki, A. M. Ali and M. R. Albayati

CCDC reference: 975725

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N-(2-Hydroxyphenyl)-4-methylbenzenesulfonamide

S. K. Mohamed, M. Akkurt, B. M. Kariuki, A. M. Ali and M. R. Albayati

CCDC reference: 976171

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2-(Naphthalen-1-yl)-1-phenyl-1H-benzimidazole benzene hemisolvate

N. Srinivasan, A. Thiruvalluvar, S. Rosepriya, S. M. Prakash and R. J. Butcher

CCDC reference: 975732

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4-[(E)-(4-Chlorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione

B. K. Sarojini, P. S. Manjula, M. Kaur, B. J. Anderson and J. P. Jasinski

CCDC reference: 976444

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N-[(9H-Fluoren-9-ylidene)(2-methoxyphenyl)methyl]-1,1,1-trimethylsilanamine

Z.-Y. Li, P. Wang and X. Chen

CCDC reference: 976209

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Hexakis(3-chloro-2-methylanilinium) cyclohexaphosphate dihydrate

R. Bel Haj Salah, L. Khederi and M. Rzaigui

CCDC reference: 975722

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(E)-2-[(2,4,6-Trimethoxybenzylidene)amino]phenol

N. Kaewmanee, S. Chantrapromma, N. Boonnak, C. K. Quah and H.-K. Fun

CCDC reference: 975348

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2-(5-Chloro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide

V. C. D. de Bittencourt, J. R. de M. Vicenti, J. M. Velasques, P. J. Zambiazi and V. C. Gervini

CCDC reference: 976025

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N,N′-Bis(diphenylmethyl)benzene-1,4-diamine

A. S. Al-Fahdawi, H. A. Al-Kafajy, M. J. Al-Jeboori, S. J. Coles, C. Wilson and H. Potgieter

CCDC reference: 976380

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1-Ethyl-5-iodoindoline-2,3-dione

L. Wang, Y.-X. Shen, J.-T. Dong, M. Zhang and Q. Fang

CCDC reference: 976478

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Ethyl 2-[2-(2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)hydrazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate dimethylformamide monosolvate

S. Jothivel and S. Kabilan

CCDC reference: 956569

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5-Chloro-5′′-[4-(dimethylamino)benzylidene]-4′-[4-(dimethylamino)phenyl]-1′,1′′-dimethyldispiro[indoline-3,2′-pyrrolidine-3′,3′′-piperidine]-2,4′′-dione

I. S. A. Farag, A. S. Girgis, A. A. Ramadan, A. M. Moustafa and E. R. T. Tiekink

CCDC reference: 917325

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N,N,2,4,6-Pentamethylanilinium hexafluorophosphate–1,4,7,10,13,16-hexaoxacyclooctadecane (2/1)

Y. Q. Chang, Y. Zhang and H. L. Lian

CCDC reference: 976922

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2,6-Bis[1-(2,4,6-trimethylphenylimino)ethyl]pyridine

S. M. Boyt and A. B. Chaplin

CCDC reference: 977008

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4,4-Difluoro-2,3;5,6-bis(tetramethylene)-4-bora-3a,4a-diaza-s-indacene (LD540)

K. Salorinne, T.-R. Tero and T. Lahtinen

CCDC reference: 976242

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(1S,2S,4R,5R)-Cyclohexane-1,2,4,5-tetracarboxylic acid

A. Uchida, M. Hasegawa, S. Yamaguchi, E. Takezawa, A. Ishikawa and T. Kagayama

CCDC reference: 976953

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(4-Fluorophenyl)(4-hydroxy-3-methylphenyl)methanone

C. S. Dileep, V. Lakshmi Ranganatha, N. K. Lokanath, S. A. Khanum and M. A. Sridhar

CCDC reference: 976942

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5-Chloro-2-methylsulfanyl-6-(naphthalen-1-yloxy)-1H-benzimidazole methanol monosolvate

M. Flores-Ramos, R. Castillo, A. Hernández-Campos and M. Flores-Alamo

CCDC reference: 976893

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2-{N-[(2,3,4,9-Tetrahydro-1H-carbazol-3-yl)methyl]methylsulfonamido}ethyl methanesulfonate

M. Göçmentürk, Y. Ergün, B. Mougang-Soume, N. Çaylak Delibaş and T. Hökelek

CCDC reference: 977607

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(E)-1,1-Diphenyl-2-(thiophen-2-ylmethylidene)hydrazine

B. M. Cabrera-Vivas, M. Flores-Alamo, R. Meléndrez-Luévano, L. Meléndez-Balbuena and J. C. Ramirez

CCDC reference: 977136

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(1R,3S,8R)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3]dodec-9-en-11-one

A. Bimoussa, A. Auhmani, M. Y. Ait Itto, J.-C. Daran and A. Abdelwahed

CCDC reference: 977683

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1-(2,3-Dihydroxypropyl)-4-{2-[4-(dimethylamino)phenyl]vinyl}pyridinium chloride

G. J. Gainsford, M. D. H. Bhuiyan and A. J. Kay

CCDC reference: 975724

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4-Nitrobenzoic acid–sulfathiazole (1/1)

M. Oruganti and D. R. Trivedi

CCDC reference: 970540

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2-(6-Hydroxy-1-benzofuran-3-yl)acetamide

D. B. Arunakumar, G. Krishnaswamy, S. Sreenivasa, K. J. Pampa, N. K. Lokanath and P. A. Suchetan

CCDC reference: 976208

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(2Z,4E)-1-(5-Fluoro-2-hydroxyphenyl)-5-(4-fluorophenyl)-3-hydroxypenta-2,4-dien-1-one

J.-W. Chen, Z. He, Z. Wu, M.-J. Fang and H. Fang

CCDC reference: 976529

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(E)-1-(2,4-Dinitrophenyl)-2-(3-ethoxy-4-hydroxybenzylidene)hydrazine

H.-K. Fun, S. Chantrapromma, P. Ruanwas, T. Kobkeatthawin and C. S. Chidan Kumar

CCDC reference: 977507

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1-(1-Benzofuran-2-yl)ethanone O-(2,6-difluorobenzyl)oxime

T. Kosmalski and A. K. Gzella

CCDC reference: 977737

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Hexane-1,6-diammonium hexafluorosilicate

A. Ouasri, A. Rhandour, M. Saadi and L. El Ammari

CCDC reference: 977855

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N,N-Dimethyl-3-phenylisoxazole-5-carboxamide

L. Wang, Y.-J. Li, Z.-W. Li, K.-G. Liu and S.-H. Zhang

CCDC reference: 975721

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2-{[5-(Pyridin-4-yl)-4-p-tolyl-4H-1,2,4-triazol-3-yl]methyl}acrylic acid hemihydrate

R. Paprocka, B. Modzelewska-Banachiewicz and A. K. Gzella

CCDC reference: 977733

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10-(4-Chlorophenyl)-14a-hydroxy-12-methyl-8,9,9a,10,12,13,14,14a-octahydro-5H-10a,14-methanoindeno[2′,1′:4,5]azepino[3,4-b]pyrrolizine-5,15(7H,11H)-dione

R. A. Nagalakshmi, J. Suresh, K. Malathi, R. R. Kumar and P. L. N. Lakshman

CCDC reference: 977765

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(E)-N′-(2-Chlorobenzylidene)-1-methyl-4-nitro-1H-pyrrole-2-carbohydrazide

J. Wang, R. He, Z. Xin, H. Shen and C. Wang

CCDC reference: 977773

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2-(2-Fluoro-4-nitrophenoxy)-3-nitropyridine

L. Cui and X. He

CCDC reference: 977994

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1-(4-Methylphenylsulfonyl)-5,6-dinitro-1H-indazole

B. Oulemda, E. M. Rakib, N. Abbassi, M. Saadi and L. El Ammari

CCDC reference: 978262

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addenda and errata

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(E)-3-Amino-4-(2-phenylhydrazinylidene)-1H-pyrazol-5(4H)-one. Corrigendum

G. H. Elgemeie, S. H. Sayed and P. G. Jones

Corrigendum to Acta Cryst. (2013), E69, o187.

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