The crystal and molecular structure of mono-(N,N-diethylnicotinamide)cadmium dithiocyanate

Bigoli, Francesco; Braibanti, A.; Pellinghelli, M. A.; Tiripicchio, António

doi:10.1107/s0567740872003474

Cited by 120 publications

(136 citation statements)

References 5 publications

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“…The coordination of the dena ligand occurs via the pyridine ring nitrogen atom and the other possible donor atoms for coordination bonds are less preferred. There are 60 structures of metal complexes containing the dena moiety bonded to a metal atom via the pyridine nitrogen donor atom and only nine of those structures contain dena as a bridging ligand bonded to the metal atom by carbonyl oxygen donor atoms too [17][18][19][20][21][22][23][24][25]. The monodentate bonding mode of the dena ligand is even more dominant for carboxylatocopper(II) complexes and there are two main stoichiometries within this group of complexes with the dena ligand.…”

Section: Introductionmentioning

confidence: 99%

[Cu(X-salicylato)2(N,N-diethylnicotinamide)2(H2O)2] complexes: conformational polymorphism and its consequence in supramolecular hydrogen-bonding networks formation

et al. 2010

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Novel copper(II) X-salicylate complexes with N,N-diethylnicotinamide (dena) of the formula [Cu(R-COO) 2 (dena) 2 (H 2 O) 2 ] (RCOO = 3-methylsalicylate anion (3-Mesal, 1), 4-methylsalicylate anion (4-Mesal, 2), 5-methylsalicylate anion (5-Mesal, 3), 5-methoxysalicylate anion (5-MeOsal, 4) or 4-methoxysalicylate anion (4-MeOsal, 5)), and complex (6)) have been prepared in the crystalline forms and characterized by spectroscopic methods (IR, Vis-UV, EPR). All the compounds according to their composition (1-5) seem to possess octahedral copper(II) stereochemistry. The complex 1 has been prepared in two different forms. X-ray analyses of the complexes 1, 4, and 5 were carried out and they featured a tetragonal-bipyramidal geometry around the copper atoms. The tetragonal planes are created by X-salicylate anions bonded to the copper(II) atoms via unidentate carboxylate oxygen atoms and the pyridine ring nitrogen atoms of the neutral ligand N,N-diethylnicotinamide, while in axial positions are water molecules. The two forms of complex 1 present conformation polymorphs and supramolecular isomers.

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Section: Introductionmentioning

confidence: 99%

[Cu(X-salicylato)2(N,N-diethylnicotinamide)2(H2O)2] complexes: conformational polymorphism and its consequence in supramolecular hydrogen-bonding networks formation

et al. 2010

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“…For background to niacin, see: Krishnamachari (1974) and to N,N-diethylnicotinamide, see: Bigoli et al (1972). For related structures, see: Greenaway et al (1984);Hö kelek & Necefog lu (1996);Hö kelek et al (2009aHö kelek et al ( ,b,c,d, 2010aHö kelek et al ( ,b, 2011.…”

Section: Related Literaturementioning

confidence: 95%

“…For information on the nicotinic acid derivative N,N-diethylnicotinamide, see: Bigoli et al (1972). Symmetry codes: (i) Àx þ 1; Ày þ 1; Àz À 1; (ii) x; y; z À 1; (iii) Àx; Ày þ 1; Àz; (iv)…”

Section: Related Literaturementioning

confidence: 99%

1-[4-(4-Fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethanone

Anuradha¹,

Thiruvalluvar²,

Chitra³

et al. 2012

Acta Cryst E

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In the title molecule, C13H13FN2OS, the heterocyclic ring adopts a slightly distorted flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 87.45 (14)° with the benzene ring. The thione, acetyl and methyl groups lie on the opposite side of the heterocyclic mean plane to the fluorophenyl group, which has an axial orientation. N—H⋯O, N—H⋯S, C—H⋯F and C—H⋯O intermolecular hydrogen bonds and a weak C—H⋯π interaction involving the benzene ring are found in the crystal structure.

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“…Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 2009); software used to prepare material for publication: WinGX (Farrugia, 1999) and PLATON. As a part of our ongoing investigation on transition metal complexes of nicotinamide (NA), one form of niacin (Krishnamachari, 1974), and/or the nicotinic acid derivative N,N-diethylnicotinamide (DENA), an important respiratory stimulant (Bigoli et al, 1972), the title compound was synthesized and its crystal structure is reported herein. (Table 1), and the Co II ion is displaced out of the leastsquares plane of the carboxylate group (O1/C1/O2) by -0.3436 (1) Å.…”

Section: Methodsmentioning

confidence: 99%

Diaquabis(2-bromobenzoato-κO)bis(N,N-diethylnicotinamide-κN¹)cobalt(II)

et al. 2010

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Key indicators: single-crystal X-ray study; T = 100 K; mean (C-C) = 0.003 Å; R factor = 0.028; wR factor = 0.064; data-to-parameter ratio = 19.4.In the mononuclear title compound, [Co(C 7 H 4 BrO 2 ) 2 (C 10 H 14-N 2 O) 2 (H 2 O) 2 ], the Co II ion is located on a crystallographic inversion center. The asymmetric unit is completed by one 2-bromobenzoate anion, one diethylnicotinamide (DENA) ligand and one coordinated water molecule; all ligands are monodentate. The four O atoms in the equatorial plane around Co II form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of the DENA ligands in axial positions. The dihedral angle between the carboxylate group and the attached benzene ring is 84.7 (1); the pyridine and benzene rings are oriented at a dihedral angle of 43.64 (6) . In the crystal structure, intermolecular O-HÁ Á ÁO and C-HÁ Á ÁO hydrogen bonds link the molecules into a three-dimensional network. Related literature

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The crystal and molecular structure of mono-(N,N-diethylnicotinamide)cadmium dithiocyanate

Cited by 120 publications

References 5 publications

[Cu(X-salicylato)2(N,N-diethylnicotinamide)2(H2O)2] complexes: conformational polymorphism and its consequence in supramolecular hydrogen-bonding networks formation

[Cu(X-salicylato)2(N,N-diethylnicotinamide)2(H2O)2] complexes: conformational polymorphism and its consequence in supramolecular hydrogen-bonding networks formation

1-[4-(4-Fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethanone

Diaquabis(2-bromobenzoato-κO)bis(N,N-diethylnicotinamide-κN¹)cobalt(II)

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The crystal and molecular structure of mono-(N,N-diethylnicotinamide)cadmium dithiocyanate

Cited by 120 publications

References 5 publications

[Cu(X-salicylato)2(N,N-diethylnicotinamide)2(H2O)2] complexes: conformational polymorphism and its consequence in supramolecular hydrogen-bonding networks formation

[Cu(X-salicylato)2(N,N-diethylnicotinamide)2(H2O)2] complexes: conformational polymorphism and its consequence in supramolecular hydrogen-bonding networks formation

1-[4-(4-Fluorophenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethanone

Diaquabis(2-bromobenzoato-κO)bis(N,N-diethylnicotinamide-κN1)cobalt(II)

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Diaquabis(2-bromobenzoato-κO)bis(N,N-diethylnicotinamide-κN¹)cobalt(II)