Zhao-Lian Yu, Xiaodong Li
2008
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Zeitschrift für Kristallographie - New Crystal Structures
Abstract
C38H34N6O12S2, monoclinic, C1c1 (no. 9), a = 15.323(3) Å, b = 5.4901(9) Å, c = 23.210(4) Å, = 101.036(2)°, V = 1916.4 Å, Z = 2, Rgt(F) = 0.046, wRref(F) = 0.111, T = 291 K. Source of material 4,4'-bipyridine (0.08 g, 0.5 mmol), 4-(sulfonylglycine)benzoic acid (0.12 g, 0.5 mmol), and NaOH (0.02 g, 0.5 mmol) were added to water (15 ml) in a Teflon-lined stainless steel reactor. The mixture was heated at 418 K for 2 days, and then slowly cooled down to room temperature. Colorless crystals of the title compound were obtained. Discussion Construction of one-, twoor three-dimensional metallosupramolecular species with interesting structural topologies and desired functions has been the subject of enormous study in recent years . Using a building block methodology, a number of discrete and a wide range of infinite solid state coordination frameworks have already been generated with simple organic spacers [1-5]. An important goal in this developing field has been the rationalization of the structures of supramolecular crystals based on the structures of their component molecules. Strong, selective, and directional hydrogen bonding has been noted as a most powerful organizing force in molecular assembly, and the vast majority of publications and reviews have been devoted to the selforganization of organic molecules into multi-dimensional hydrogen bonded architectures. Moreover N-sulfonyl amino acids were found to reproduce the coordination behavior of peptides and their selectivity towards metal ions [6-12]. Thus, it is of great interest in studying the coordination chemistry of Nsulfonylglycine acid. The crystal structure of the title compound comprises a 4,4'bipyridine molecule and a 4-(sulfonyl-glycine)benzoic acid molecule per asymmetric unit. Both of the carboxylate groups of the acid are protonated. Hydrogen bonding and intermolecular weak interactions play an important role in the structure of the title compound. A short intermolecular distance between N2 and sulfonylglycine O6 atom of 2.954 Å is found, corresponding to an intermolecular hydrogen bond. Another kind of hydrogen bonding is present: hydrogen bonding between the benzoic acid carboxylate oxygen atom and 4,4'-bipyridine nitrogen atom with an O—N distance of 2.625 Å. Then, an extended onedimensional network structure along [100] is formed. Furthermore, these chains are assembled by hydrogen bonds between sulfonamide nitrogen atoms and benzoic acid oxygen atoms from adjacent chains to give rise to 2D layer supramolecular structure (N1···O1 distance: 3.036 Å) Z. Kristallogr. NCS 223 (2008) 271-272 / DOI 10.1524/ncrs.2008.0115 271 © by Oldenbourg Wissenschaftsverlag, München Crystal: colorless block, size 0.10 × 0.12 × 0.21 mm Wavelength: Mo K radiation (0.71073 Å) : 2.12 cm−1 Diffractometer, scan mode: Bruker SMART CCD, 2 max: 51° N(hkl)measured, N(hkl)unique: 6965, 3506 Criterion for Iobs, N(hkl)gt: Iobs > 2 (Iobs), 2548 N(param)refined: 264 Programs: SHELXS-97 [13], SHELXL-97 [14], SHELXTL [15] Table 1. Data collection and handling.