A new 1,3,4-oxadiazole bridging bent organic ligand, 2,5-bis{5-methyl-2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole, C(28)H(24)N(4)O(3), L, has been used to create three novel one-dimensional isomorphic coordination polymers, viz. catena-poly[[[dichloridomercury(II)]-μ-2,5-bis{5-methyl-2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole] methanol monosolvate], {[HgCl(2)(C(28)H(24)N(4)O(3))]·CH(3)OH}(n), catena-poly[[[dibromidomercury(II)]-μ-2,5-bis{5-methyl-2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole] methanol monosolvate], {[HgBr(2)(C(28)H(24)N(4)O(3))]·CH(3)OH}(n), and catena-poly[[[diiodidomercury(II)]-μ-2,5-bis{5-methyl-2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole] methanol monosolvate], {[HgI(2)(C(28)H(24)N(4)O(3))]·CH(3)OH}(n). The free L ligand itself adopts a cis conformation, with the two terminal pyridine rings and the central oxadiazole ring almost coplanar [dihedral angles = 5.994 (7) and 9.560 (6)°]. In the Hg(II) complexes, however, one of the flexible pyridylmethyl arms of ligand L is markedly bent and helical chains are obtained. The Hg(II) atom lies in a distorted tetrahedral geometry defined by two pyridine N-atom donors from two L ligands and two halide ligands. The helical chains stack together via interchain π-π interactions that expand the dimensionality of the structure from one to two. The methanol solvent molecules link to the complex polymers through O-H···N and O-H···O hydrogen bonds.
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http://dx.doi.org/10.1107/S0108270111016246 | DOI Listing |
IUCrdata
October 2024
School of Chemistry and Physics, University of KwaZulu Natal, Private Bag X54001, Westville, Durban, 4000, South Africa.
In the title solvate, CHNO·CHO, the dihedral angles between the formamidine backbone and the pendant 2-meth-oxy-phenyl and 2,6-di-methyl-phenyl groups are 14.84 (11) and 81.61 (12)°, respectively.
View Article and Find Full Text PDFThe title compound, [Ir(CHN)(CHN)]PF·CHOH, crystallizes in the 2/ space group with one monocationic iridium complex, one hexa-fluorido-phosphate anion, and one methanol solvent mol-ecule of crystallization in the asymmetric unit, all in general positions. The anion and solvent are linked to the iridium complex cation hydrogen bonding. All bond lengths and angles fall into expected ranges compared to similar compounds.
View Article and Find Full Text PDFActa Crystallogr C Struct Chem
July 2024
Department of Chemistry & Biochemistry, University of Notre Dame, Notre Dame, IN 46556-5670, USA.
Methyl 2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranoside (methyl β-chitobioside), (IV), crystallizes from aqueous methanol at room temperature to give a structure (CHNO·CHOH) containing conformational disorder in the exocyclic hydroxymethyl group of one of its βGlcNAc residues. As observed in other X-ray structures of disaccharides containing β-(1→4) O-glycosidic linkages, inter-residue hydrogen bonding between O3H of the βGlcNAc bearing the OCH aglycone and O5 of the adjacent βGlcNAc is observed based on the 2.79 Å internuclear distance between the O atoms.
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April 2024
Department of Applied Chemistry, Faculty of Science Division I, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo, 162-8601, Japan.
In the title salt solvate (systematic name: 8-amino-5-ethyl-6-phenyl-phenanthridin-5-ium benzoate methanol monosolvate), CHN ·CHCO ·CHOH, two ethidium cations, CHN , dimerize about a twofold axis through π-π inter-actions [inter-centroid separation = 3.6137 (4) Å]. The benzoate anions are connected through hydrogen bonding with the -NH groups of the ethidium cations and the -OH group of the MeOH mol-ecule.
View Article and Find Full Text PDFActa Crystallogr C Struct Chem
December 2023
Institute of General and Ecological Chemistry, Faculty of Chemistry, Łódź University of Technology, Zeromskiego 116, 90-924 Łódź, Poland.
Two new 2-(pyridin-2-yl)-1H-benzimidazole derivatives, namely, 2-(4-phenoxypyridin-2-yl)-1H-benzimidazole, CHNO, and 2-[4-(4-fluorophenoxy)pyridin-2-yl]-1H-benzimidazole, CHFNO, were synthesized and characterized by NMR spectroscopy. Crystal structure, biological activity and ADME analyses were performed for these two new compounds and a third compound, namely, 5,6-dimethyl-2-[4-(4-phenylpiperazin-1-yl)pyridin-2-yl]-1H-benzimidazole methanol monosolvate, CHN·CHOH, the synthesis of which had been described previously. All three compounds have a similar chain hydrogen-bonding pattern.
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