title: Robust recognition of malonate and 2-amino-4-picolinium in conjunction with M(II) as a triad (M = Ni/Co/Mn): role of this highly stable hydrogen-bonded motif in driving supramolecular self-assembly.
abstract: The crystal lattice of the three isostructural compounds , (C(6)H(8)N(2)H)(2)[M(C(3)H(2)O(4))(2)(H(2)O)(2)].4H(2)O (C(6)H(8)N(2)H = protonated 2-amino-4-picoline, M = Ni/Co/Mn, C(3)H(4)O(4) = malonate dianion; hereafter, malonate) is formed by supramolecular 2D layers. Hydrogen-bonding, pi...pi and lone pair...pi interactions play crucial role in organizing monomeric [M(II)(mal)(2)(H(2)O)(2)] units into 2D sheets along the ab plane, through the self-association between two different supramolecular building blocks, namely a tetrameric water cluster including metal-coordinated water molecules, and R(2)(2)(8) and R(2)(2)(7) hydrogen-bonded recognition synthons between 2-amino-4-picolinium and malonate. DFT calculations clearly show that the robust 2-amino-4-picolinium/malonate hydrogen-bonded motif drives the self-assembly of the supramolecular network observed.
authors.affiliation: Department of Chemistry, Jadavpur University, Kolkata, 700 032, India.
authors.forename: Somnath Ray
authors.initials: SR
authors.lastname: Choudhury
authors.forename: Biswajit
authors.initials: B
authors.lastname: Dey
authors.forename: Suranjana
authors.initials: S
authors.lastname: Das
authors.forename: Arturo
authors.initials: A
authors.lastname: Robertazzi
authors.forename: Atish Dipankar
authors.initials: AD
authors.lastname: Jana
authors.forename: Chih-Yuan
authors.initials: CY
authors.lastname: Chen
authors.forename: Hon Man
authors.initials: HM
authors.lastname: Lee
authors.forename: Patrick
authors.initials: P
authors.lastname: Gamez
authors.forename: Subrata
authors.initials: S
authors.lastname: Mukhopadhyay
mesh_terms: D003035:Cobalt / Q000737:chemistry; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008314:Malonates / Q000737:chemistry*; D008345:Manganese / Q000737:chemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D009532:Nickel / Q000737:chemistry; D009942:Organometallic Compounds / Q000737:chemistry*; D010847:Picolines / Q000737:chemistry*; D011522:Protons; D028561:Transition Elements / Q000737:chemistry*
chemical_list: D008314:Malonates; D009942:Organometallic Compounds; D010847:Picolines; D011522:Protons; D028561:Transition Elements; C015672:2-amino-4-picoline; D003035:Cobalt; D008345:Manganese; D009532:Nickel; C030290:malonic acid