Darstellung, Kristall‐ und Molekülstruktur von Diphenylzinnglycylglycinat, (C6H5)2SnC4H6N2O3
作者： F. Huber , H. J. Haupt , H. Preut , R. Barbieri , M. T. Lo Giudice
关键词: Glycylglycine 、 Crystallography 、 Crystal structure 、 Ligand 、 Chemistry 、 Trigonal bipyramidal molecular geometry 、 Orthorhombic crystal system 、 Stereochemistry 、 Intramolecular force
摘要: Die Titelverbindung wurde durch Umsetzung von (C6H5)2SnO mit Glycylglycin (H2GlyGly) in Methanol dargestellt. Sie kristallisiert orthorhombisch der Raumgruppe P212121 a = 9,860(5), b 11,787(8), c 13,962(2) A und Z 4. Kristallstruktur anhand 1 109 unabhangigen Reflexen mittels Patterson- Fourier-Synthesen bestimmt nach Kleinste-Quadrate-Methode bis zu einem R-Wert 0,033 verfeinert. (C6H5)2SnGlyGly-Molekeln besitzen die Grundstruktur einer stark verzerrten trigonalen Bipyramide; Peptid-N beiden an Sn gebundenen Phenyl-C-Atome liegen aquatorial. Der dreizahnige GlyGly-Ligand ist praktisch planar koordiniert uber ein Carboxylat-O, sowie Amin-N. Einzelmolekel sind H-Brucken zwischen Amin-N Carbonyl-O Peptidgruppierung, Carboxylat-O (nicht gebunden) verknupft. Wichtige intramolekulare Abstande Winkel: SnO: 2,157(8); SnN (Peptid): 2,082(8); (Amin): 2,273(9); SnC: 2,113(9) (Mittelwert); CN (Peptidgruppe): 1,330(13); 1,457(15) bzw. 1,499(14); CSnC: 117,54(30); NSnN 77,57(32); N(Peptid)SnO: 75,71(31); CSnN(Peptid): 121,1(3) CN(Peptid)C 119,47(91). Preparation, Crystal and Molecular Structure of Diphenyltin Glycylglycinate, (C6H5)2SnC4H6N2O3 The title compound has been prepared from Glycylglycine methanol. It crystallizes the orthorhombic space group with 9.860(5), 11.787(8), 13.962(2) The crystal structure determined independent reflections by Patterson Fourier syntheses, refined least squares methods to R 0.033. (C6H5)2SnGlyGly molecules essentially form heavily distorted trigonal bipyramid peptide-N phenyl C-atoms bonded occupying equatorial positions. tridentate GlyGly ligand is practically coordinating through one carboxylate-O, amine-N. single are bridged H-bonds between amine-N carbonyl-O peptide-group also carboxylate-O (not Sn). Important intramolecular bond distances angles: see above.
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