Hydrogen bonded supramolecular network in organic salts: crystal structures of acid–base salts of dicarboxylic acids and amines

CrystEngComm ◽  
2002 ◽  
Vol 4 (24) ◽  
pp. 135-142 ◽  
Author(s):  
Amar Ballabh ◽  
Darshak R. Trivedi ◽  
Parthasarathi Dastidar ◽  
Eringathodi Suresh
Keyword(s):  
Crystal Structures ◽  
Dicarboxylic Acids ◽  
Supramolecular Network ◽  
Acid Base ◽  
Organic Salts ◽  
Hydrogen Bonded

scholarly journals Crystal structures of three hydrogen-bonded 1:2 compounds of chloranilic acid with 2-pyridone, 3-hydroxypyridine and 4-hyroxypyridine

2017 ◽  
Vol 73 (10) ◽  
pp. 1546-1550 ◽  
Author(s):  
Kazuma Gotoh ◽  
Hiroyuki Ishida
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Divalent Cations ◽  
Atom Transfer ◽  
Asymmetric Unit ◽  
Acid Base ◽  
Chloranilic Acid ◽  
Base Interaction ◽  
Hydrogen Bonded

The crystal structures of the 1:2 compounds of chloranilic acid (systematic name: 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone) with 2-pyridone, 3-hydroxypyridine and 4-hyroxypyridine, namely, bis(2-pyridone) chloranilic acid, 2C5H5NO·C6H2Cl2O4, (I), bis(3-hydroxypyridinium) chloranilate, 2C5H6NO+·C6Cl2O42−, (II), and bis(4-hydroxypyridinium) chloranilate, 2C5H6NO+·C6Cl2O42−, (III), have been determined at 120 K. In the crystal of (I), the base molecule is in the lactam form and no acid–base interaction involving H-atom transfer is observed. The acid molecule lies on an inversion centre and the asymmetric unit consists of one half-molecule of chloranilic acid and one 2-pyridone molecule, which are linkedviaa short O—H...O hydrogen bond. 2-Pyridone molecules form a head-to-head dimerviaa pair of N—H...O hydrogen bonds, resulting in a tape structure along [201]. In the crystals of (II) and (III), acid–base interactions involving H-atom transfer are observed and the divalent cations lie on an inversion centre. The asymmetric unit of (II) consists of one half of a chloranilate anion and one 3-hydroxypyridinium cation, while that of (III) comprises two independent halves of anions and two 4-hydroxypyridinium cations. The primary intermolecular interaction in (II) is a bifurcated O—H...(O,O) hydrogen bond between the cation and the anion. The hydrogen-bonded units are further linkedviaN—H...O hydrogen bonds, forming a layer parallel to thebcplane. In (III), one anion is surrounded by four cationsviaO—H...O and C—H...O hydrogen bonds, while the other is surrounded by four cationsviaN—H...O and C—H...Cl hydrogen bonds. These interactions link the cations and the anions into a layer parallel to (301).

Crystal Structures and Magnetic Properties of Hydrogen-Bonded Nitronyl Nitroxide Radicals and Their Metal Complexes

2002 ◽  
Vol 379 (1) ◽  
pp. 153-158 ◽  
Author(s):  
Mikio Ueda ◽  
Tomoyuki Mochida ◽  
Sachie Furukawa ◽  
Hideaki Suzuki ◽  
Hirosi Moriyama ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Nitronyl Nitroxide ◽  
Nitroxide Radicals ◽  
Hydrogen Bonded

Synthesis and X-ray crystal structures of dinuclear hydrogen-bonded cadmium and lead 2-aminoethanethiolates

Polyhedron ◽  
2005 ◽  
Vol 24 (8) ◽  
pp. 865-871 ◽  
Author(s):  
Mohan S. Bharara ◽  
Chong H. Kim ◽  
Sean Parkin ◽  
David A. Atwood
Keyword(s):  
Crystal Structures ◽  
X Ray ◽  
Cadmium And Lead ◽  
Hydrogen Bonded

Metal Phenoxyalkanoic Acid Interactions. XXV. The Crystal Structures of (2-Formyl-6-Methoxyphenoxy)Acetic Acid and Its Zinc(II) Complex and the Lithium, Zinc(II) and Cadmium(II) Complexes of (2-Chlorophenoxy)Acetic Acid

1987 ◽  
Vol 40 (7) ◽  
pp. 1147 ◽  
Author(s):  
EJ Oreilly ◽  
G Smith ◽  
CHL Kennard ◽  
TCW Mak
Keyword(s):  
Acetic Acid ◽  
Crystal Structures ◽  
Free Acid ◽  
Rotational Symmetry ◽  
Carboxyl Groups ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Third ◽  
Planar Complex ◽  
Hydrogen Bonded

The crystal structures of (2-formyl-6-methoxyphenoxy)acetic acid (1), diaquabis [(2-formyl-6-methoxyphenoxy) acetato ]zinc(11) (2), tetraaquabis [(2-chlorophenoxy) acetato ]zinc(11) (3), triaquabis [(2-chlorophenoxy) acetato ]cadmium(11) dihydrate (4) and lithium (2-chloro- phenoxy )acetate 1.5 hydrate (5) have been determined by X-ray diffraction. The acid (1) forms centrosymmetric hydrogen-bonded cyclic dimers [O…0, 2.677(6) �] which are non-planar. Complex (2) is six-coordinate with two waters [Zn- Ow , 1.997(2) �] and four oxygens from two asymmetric bidentate carboxyl groups [Zn-O, 2.073, 2.381(2) �] completing a skew trapezoidal bipyramidal stereochemistry. Complex (5) is also six-coordinate but is octahedral, with two trans-related unidentate carboxyl oxygens [mean Zn-O, 2.134(9) �] and four waters [mean Zn-O, 2.081(9) �]. The seven-coordinate complex (4) has crystallographic twofold rotational symmetry relating two :symmetric bidentate acid ligands [ Cd -O, 2.26, 2 48(:) �] and two waters [ Cd -O, 2.34(2) �] while the third water lies on this axis [ Cd -O, 2.27(2) �]. In contrast to the monomers (2)-(4), complex (5) is polymeric with tetrahedral lithium coordinated to one water and three carboxylate oxygens [mean Li-0, 1.95(1) �]. The essential conformation of the free acid is retained in complexes (2), (3) and (4) but in (5), it is considerably changed.

scholarly journals Unusual co-crystal of isonicotinamide: the structural landscape in crystal engineering

2012 ◽  
Vol 370 (1969) ◽  
pp. 2900-2915 ◽  
Author(s):  
Srinu Tothadi ◽  
Gautam R. Desiraju
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Crystal Engineering ◽  
Organic Molecule ◽  
Reference Molecule ◽  
Hydrogen Bonded

The idea of a structural landscape is based on the fact that a large number of crystal structures can be associated with a particular organic molecule. Taken together, all these structures constitute the landscape. The landscape includes polymorphs, pseudopolymorphs and solvates. Under certain circumstances, it may also include multi-component crystals (or co-crystals) that contain the reference molecule as one of the components. Under still other circumstances, the landscape may include the crystal structures of molecules that are closely related to the reference molecule. The idea of a landscape is to facilitate the understanding of the process of crystallization. It includes all minima that can, in principle, be accessed by the molecule in question as it traverses the path from solution to the crystal. Isonicotinamide is a molecule that is known to form many co-crystals. We report here a 2:1 co-crystal of this amide with 3,5-dinitrobenzoic acid, wherein an unusual N−H⋯N hydrogen-bonded pattern is observed. This crystal structure offers some hints about the recognition processes between molecules that might be implicated during crystallization. Also included is a review of other recent results that illustrate the concept of the structural landscape.

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