Polymorphism in [Co(SCN)4(ppz-H)2] (ppz, piperazine)

Manna, Subal Chandra; Jana, Atish Dipankar; Drew, Michael G. B.; Mostafa, Golam; Chaudhuri, Nirmalendu Ray

doi:10.1016/j.poly.2007.12.016

Cited by 28 publications

(5 citation statements)

References 29 publications

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“…Concomitant polymorphism caused by the variation of hydrogen bonding is rather rare for the metal complexes despite the fact that this variation is often a consequence of different conformations of molecules or ions. A similar example of concomitant polymorphism was reported for the octahedral molecular complex [Co(SCN) 4 (ppz-H) 2 ] (ppz = piperazine, [36]). The conformation of the complexes differentiates in the linear or tilted SCN -groups in polymorphs I and II that causes different 3D patterns of intermolecular hydrogen bonds.…”

Section: Hydrogen Bondingsupporting

confidence: 71%

Hydrogen bonding induced polymorphism in the scandium(III) complex with ε-caprolactam

Вировец¹,

Cherkasova

Peresypkina³

et al. 2015

Zeitschrift Für Kristallographie - Crystalline Materials

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Two polymorphs of [Sc(cpl) 6 ][Cr(NCS) 6 ] (cpl = ε-C 6 H 11 NO), trigonal and monoclinic, form purple elongated narrow plates and brownish-purple prisms and are formed concomitantly irrespectively of the crystallization conditions. In the trigonal polymorph both cation and anion possess C 3i site symmetry while in the monoclinic form cation and anion lie on inversion centre and 2-fold axis respectively. The nature of the polymorphism traces back to a redistribution of inter-and intramolecular hydrogen bonds that causes different conformation of the complex cations, different hydrogen bonding and different molecular packings. The [Sc(cpl) 6 ] 3+ cations in the structure of the trigonal polymorph form intermolecular N(H)…S, and in the monoclinic form both N(H)…S inter-and N(H)… O intramolecular hydrogen bonds with NCS groups of [Cr(NCS) 6 ] 3− and cpl ligands. This aggregation leads to chains, where the cations and the anions alternate, in the trigonal modification and to layers, in which each ion is surrounded by four counterions, in the monoclinic form. Both polymorphs possess thermochromic properties, and a reversible color change from light purple to dark green takes place at 470-475 K.

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Section: Hydrogen Bondingsupporting

confidence: 71%

Hydrogen bonding induced polymorphism in the scandium(III) complex with ε-caprolactam

Вировец¹,

Cherkasova

Peresypkina³

et al. 2015

Zeitschrift Für Kristallographie - Crystalline Materials

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“…Besides noncovalent interactions , involving aromatic π systems, intensive structural investigations in the fields of biopolymers and organic conductors have shown that weak interactions between chalcogen centers contribute considerably to stabilize conformations. – van der Waals interactions between sulfur centers have been encountered in a number of cases, particularly in crystal engineering of organic conductors such as tetrathiafulvalene (TTF) and tetracyanoquinodimethane (TCNQ). , These studies revealed that close S···S contacts play an important role in the formation of two- and three-dimensional networks in the solid state. Recent reports also support the importance of S···S interaction in supramolecular architectures. ,– Noncovalent O···O interactions are also well-established in the literature, including their theoretical aspects. – Raghavaiah et al found for the first time that short O···O contacts played a decisive role in the construction of a helix . Some comprehensive theoretical investigations on model systems to understand the nature of intermolecular interactions between chalcogen centers are also available in the literature. – We also study herein the unusual role of perchlorate anions to construct a 2D assembly of [Mg(C 3 H 2 O 4 ) 2 (H 2 O) 2 ] 2− anionic units in 1 through O···O short contacts.…”

Section: Introductionsupporting

confidence: 55%

Supramolecular Assembly of Mg(II) Complexes Directed by Associative Lone Pair−π/π−π/π−Anion−π/π−Lone Pair Interactions

et al. 2010

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Two Mg(II) malonate complexes with protonated 2-aminopyridine and protonated 2-amino-4-picoline as counterions, namely, (C(5)H(7)N(2))(4)[Mg(C(3)H(2)O(4))(2)(H(2)O)(2)](ClO(4))(2) (1) and (C(6)H(8)N(2)H)(2)[Mg(C(3)H(2)O(4))(2)(H(2)O)(2)] x 4 H(2)O (2) [C(5)H(7)N(2) = protonated 2-aminopyridine, C(3)H(4)O(4) = malonic acid, C(6)H(8)N(2)H = protonated 2-amino-4-picoline], have been synthesized from purely aqueous media, and their crystal structures have been determined by single-crystal X-ray diffraction. The role of lone pair...pi interactions in stabilizing the self-assembly process appears to be of great importance in both complexes. Additional weak forces like anion...pi and noncovalent O...O interactions are also found to be operating in 1. A rare combination of lone pair...pi and anion...pi interactions in 1, of the type lone pair...pi/pi...pi/pi...anion...pi/pi...lone pair, is observed, and this unusual supramolecular network is fully described here. An attempt to prepare an analogous complex with 2-amino-4-picoline resulted in 2, which is isomorphous with our recently reported transition-metal complexes of the type (C(6)H(8)N(2)H)(2)[M(C(3)H(2)O(4))(2)(H(2)O)(2)] x 4 H(2)O (M = Ni/Co/Mn). A high-level DFT-D study (RI-B97-D/TZVP) has been used to characterize the different noncovalent interactions present in the solid state. We have also analyzed some crystal fragments to examine energetically some important assemblies that drive the crystal packing. Finally, we have studied the influence of magnesium on some hydrogen-bonding interactions.

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“…Inorganic complex anions with NCS À , CN À and SCN À are proved to be very useful and potential building block for organic-organic hybrid materials [7]. Particular attention has been focused on [M(CN) 6 ] nÀ (M = Co 3+ , Cr 3+ , Fe 2+ , Fe 3+ , Mn 3+ , n = 3 or 4) [8], while the literature covering the organic-organic hybrid materials containing tetra(isothiocyanate)cobalt(II) anion and organic cation is scarcer [9][10][11][12]. Recently, we have employed substituted benzyl triphenylphosphinium derivatives abbreviated as ([RBzTPP](R = H, Cl, CN, TPP = triphenylphosphine) as multifunctional cation and the [Ni(mnt) 2 (2), and their crystal structures and magnetic properties have been investigated.…”

Section: Introductionmentioning

confidence: 99%

Two hybrid materials self-assembly from tetra(isothiocyanate)cobalt(II) dianion and substituted benzyl triphenylphosphinium

Chen¹,

Chen²,

Han³

et al. 2010

Journal of Molecular Structure

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Polymorphism in [Co(SCN)4(ppz-H)2] (ppz, piperazine)

Cited by 28 publications

References 29 publications

Hydrogen bonding induced polymorphism in the scandium(III) complex with ε-caprolactam

Hydrogen bonding induced polymorphism in the scandium(III) complex with ε-caprolactam

Supramolecular Assembly of Mg(II) Complexes Directed by Associative Lone Pair−π/π−π/π−Anion−π/π−Lone Pair Interactions

Two hybrid materials self-assembly from tetra(isothiocyanate)cobalt(II) dianion and substituted benzyl triphenylphosphinium

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