Crystal structure of (1,10-phenanthroline-κ² N,N′)-bis(1H-pyrazole-3-carboxylato-κ² N,O)manganese(II) trihydrate, C₂₀H₂₀N₆O₇Mn

Abstract

CCDC no.: 1541178The crystal structure is shown in the figure. Hydrogen atoms are omitted for clarity. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters. Source of materialAll reagents and solvents employed are commercially available and used as received. A mixture of pyrazolecarboxylic acid (H 2 pca) (0.0224 g, 0.2 mmol), Mn(OAc) 2 ·4H 2 O (0.0245 g, 0.1 mmol), phenanthroline (phen) (0.0198 g, 0.1 mmol) and distilled water (10 mL) was sealed in a 23 mL Teflon-lined steel vessel (pH 4.4) and heated at 180°C for 72 h, then cooled to room temperature at a rate of 0.1°C min −1 . The resulting yellow block crystals were washed with distilled water. The yield is ca. 35% based on Mn. Experimental detailsH atoms attached to C atoms were placed in geometrically idealized positions (C-H 0.93 Å) and treated as riding on their parent atoms, with U iso (H) = 1.2Ueq(C). The water H-atoms were located in a difference Fourier map, and were defined with distance restraint of O-H = 0.82 Å and U iso (H) = 1.5Ueq(O). DiscussionThe assembly of supramolecular architectures based on non-covalent interactions has been developed in the field of supramolecular chemistry and crystal engineering [1][2][3]. The hydrogen bond interactions as a kind of non-covalent interactions play an important role in forming various supramolecular frameworks. The hydrogen bond interactions