The crystal structure of the title compound, C6H8N4S22+·2C6H7N4S2+·4C7H4NO4−, comprises diprotonated diaminobithiazole (DABT) dications located on inversion centers, monoprotonated DABT cations and nitrobenzoate anions. The relatively short C—N(amino) bond distances, ranging from 1.310 (2) to 1.350 (2) Å, indicate electron delocalization between the amino groups and thiazole rings. Intermolecular N—H⋯O and N—H⋯N hydrogen bonds stabilize the crystal packing.
Key indicatorsSingle-crystal X-ray study T = 295 K Mean (C-C) = 0.005 Å R factor = 0.056 wR factor = 0.137 Data-to-parameter ratio = 18.0For details of how these key indicators were automatically derived from the article, see
Key indicatorsSingle-crystal X-ray study T = 294 K Mean (C-C) = 0.002 Å R factor = 0.024 wR factor = 0.066 Data-to-parameter ratio = 18.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e. # 2005 International Union of Crystallography Printed in Great Britain -all rights reservedIn the title compound, [Co(C 2 H 4 NO 2 ) 2 (C 6 H 6 N 2 S)]Á2H 2 O, the Co II ion (site symmetry 2) is coordinated by an N,N-bidentate diaminobithiazole ligand and two N,O-bidentate glycinate anions in a distorted octahedral geometry. The five-membered Co-glycinate ring displays an envelope conformation. A network of O-HÁ Á ÁO and N-HÁ Á ÁO hydrogen bonds helps to consolidate the crystal packing.
Key indicatorsSingle-crystal X-ray study T = 295 K Mean (C-C) = 0.002 Å R factor = 0.021 wR factor = 0.054 Data-to-parameter ratio = 16.7For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e. # 2006 International Union of Crystallography Printed in Great Britain -all rights reserved
ExperimentalAn aqueous solution (20 ml) containing DABT (1 mmol) and ZnCl 2 (1 mmol) was mixed with another aqueous solution (10 ml) of glycine (2 mmol) and NaOH (1 mmol). The mixture was refluxed for 4 h. The
Key indicatorsSingle-crystal X-ray study T = 295 K Mean (C-C) = 0.003 Å R factor = 0.014 wR factor = 0.034 Data-to-parameter ratio = 17.3For details of how these key indicators were automatically derived from the article, see
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