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1.239 Aktuelle Fachpublikationen in Acta Crystallographica Section C


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Crystallographic identification of an unexpected by‐product in an Ullman's reaction toward biphenyls: 1‐(4‐hexyloxy‐3‐hydroxyphenyl)ethanone

03.11.2015 | Veronica E. Manzano, Ricardo Baggio, Fabio D. Cukiernik, Acta Crystallographica Section C, 2015

The synthesis of 3,3′‐diacetoxy‐4,4′‐bis(hexyloxy)biphenyl following the nickel‐modified Ullmann reaction yielded a by‐product which was identified successfully by crystallographic analysis as 1‐(4‐hexyloxy‐3‐hydroxyphenyl)ethanone, C14H20O3. This unexpected nonbiphenyl by‐product exhibited IR, ...


Crystal structures of the pyrazinamide–p‐aminobenzoic acid (1/1) cocrystal and the transamidation reaction product 4‐(pyrazine‐2‐carboxamido)benzoic acid in the molten state

03.11.2015 | Shridhar H. Thorat, Sanjay Kumar Sahu, Rajesh G. Gonnade, Acta Crystallographica Section C, 2015

The synthesis of pharmaceutical cocrystals is a strategy to enhance the performance of active pharmaceutical ingredients (APIs) without affecting their therapeutic efficiency. The 1:1 pharmaceutical cocrystal of the antituberculosis drug pyrazinamide (PZA) and the cocrystal former p‐aminobenzoic ...


Structural consequences of weak interactions in dispirooxindole derivatives

03.11.2015 | Krishnan Ravikumar, Balasubramanian Sridhar, Jagadeesh Babu Nanubolu, Govindaraju Karthik, Basi Venkata Subba Reddy, Acta Crystallographica Section C, 2015

Spiro scaffolds are being increasingly utilized in drug discovery due to their inherent three‐dimensionality and structural variations, resulting in new synthetic routes to introduce spiro building blocks into more pharmaceutically active molecules. Multicomponent cascade reactions, involving ...


The new structure type Gd3Ni7Al14

03.11.2015 | Svitlana Pukas, Roman Gladyshevskii, Acta Crystallographica Section C, 2015

The crystal structure of Gd3Ni7Al14 (trigadolinium heptanickel tetradecaaluminide) belongs to a family of two‐layer structures and can be described as an assembly of interpenetrating centred straight prisms. For the Ni atoms, trigonal prisms (Al4Gd2 and Al6) are observed, the Al atoms are inside ...


(5RS)‐6H‐Spiro[pyrazolo[1,5‐c]quinazoline‐5,4′‐thiochroman]: efficient synthesis under mild conditions, molecular structure and supramolecular assembly

03.11.2015 | Jairo Quiroga, Jaime Gálvez, Justo Cobo, Christopher Glidewell, Acta Crystallographica Section C, 2015

Pyrazolo[1,5‐c]quinazolines are fused‐quinazoline derivatives which have been reported as potential agents against neurological disorders. The normal synthesis routes to these compounds require harsh reaction conditions, long reaction times or multistep sequences. The title compound, C18H15N3S, ...


A new one‐dimensional ZnII coordination polymer based on 2‐[(1H‐imidazol‐1‐yl)methyl]‐1H‐benzimidazole and benzene‐1,2‐dicarboxylate

03.11.2015 | Qiu‐Ying Huang, Wei Liu, Yi Yang, Xiang‐Ru Meng, Acta Crystallographica Section C, 2015

Multidentate N‐heterocyclic compounds form a variety of metal complexes with many intriguing structures and interesting properties. The title coordination polymer, ...


Halogen bonds on demand: I...S contacts in cocrystals of trans‐bis(thiocyanato‐κN)tetrakis(4‐vinylpyridine‐κN)nickel(II) and 2,3,5,6‐tetrafluoro‐1,4‐diiodobenzene

16.10.2015 | Mihaela‐Diana Şerb, Carina Merkens, Irmgard Kalf, Ulli Englert, Acta Crystallographica Section C, 2015

Hydrogen bonds are considered a powerful organizing force in designing supramolecular architectures because they are directional, selective and reversible at room temperature. trans‐Dithiocyanatotetrakis(4‐vinylpyridine)nickel(II) is a popular host for the inclusion of small molecules and ...


Two different one‐dimensional CdII halide coordination polymers constructed through bridging carboxylate ligands

13.10.2015 | Xue‐Li Hou, Hui‐Ting Wang, Acta Crystallographica Section C, 2015

Two cadmium halide complexes, catena‐poly[[chloridocadmium(II)]‐di‐μ‐chlorido‐[chloridocadmium(II)]‐bis[μ2‐4‐(dimethylamino)pyridin‐1‐ium‐1‐acetate]‐κ3O:O,O′;κ3O,O′:O], [CdCl2(C9H12N2O2)]n, (I), and catena‐poly[1‐cyanomethyl‐1,4‐diazoniabicyclo[2.2.2]octane ...


Supramolecular hydrogen‐bonding patterns in two cocrystals of the N(7)–H tautomeric form of N6‐benzoyladenine: N6‐benzoyladenine–3‐hydroxypyridinium‐2‐carboxylate (1/1) and N6‐benzoyladenine–DL‐tartaric acid (1/1)

13.10.2015 | Ammasai Karthikeyan, Robert Swinton Darious, Packianathan Thomas Muthiah, Franc Perdih, Acta Crystallographica Section C, 2015

Two novel cocrystals of the N(7)—H tautomeric form of N6‐benzoyladenine (BA), namely N6‐benzoyladenine–3‐hydroxypyridinium‐2‐carboxylate (3HPA) (1/1), C12H9N5O·C6H5NO3, (I), and N6‐benzoyladenine–DL‐tartaric acid (TA) (1/1), C12H9N5O·C4H6O6, (II), are reported. In both cocrystals, the ...


Two new isatin derivatives: 1‐benzyl‐4,5,6‐trimethoxyindoline‐2,3‐dione and 1‐benzyl‐5‐fluoroindoline‐2,3‐dione

13.10.2015 | N. Sharmila, T. V. Sundar, G. Satish, A. Ilangovan, P. Venkatesan, Acta Crystallographica Section C, 2015

Isatin (1H‐indole‐2,3‐dione) derivatives represent synthetically useful substrates which can be used to prepare a broad range of heterocyclic compounds. In the title compounds, C18H17NO5, (I), and C15H10FNO2, (II), the isatin ring systems are planar and form a dihedral angle of 73.04 (7)° in (I) ...


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