skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.


Title: 4,4'-(Ethene-1,2-diyl)dipyridinium bis(2-hydroxy-3-methoxybenzoate)
In the title double proton-transfer salt, C 12 H 12 N 2 2+ ·2C 8 H 7 O 4 − , consisting of a 1:2 ratio of 4,4'-(ethene-1,2-diyl)dipyridinium cations ( trans bipyridinium ethylene) to 2-hydroxy-3-methoxybenzoate anions ( o -vanillate), the complete cation is generated by crystallographic inversion symmetry and it is linked to adjacent o -vanillate anions by N—H...O hydrogen bonds, forming trimolecular assemblies. The trimers are linked by C—H...O hydrogen bonds as well as aromatic π–π stacking interactions into a three-dimensional network. The anion features an intramolecular O—H...O hydrogen bond.  more » « less
Award ID(s):
2003932
PAR ID:
10331010
Author(s) / Creator(s):
;
Date Published:
Journal Name:
IUCrData
Volume:
7
Issue:
5
ISSN:
2414-3146
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. null (Ed.)
    The crystal structures of three bridged bimetallic molecular compounds, namely, triaqua-2κ 3 O -μ-fluorido-pentafluorido-1κ 5 F -(1,10-phenanthroline-2κ 2 N , N ′)copper(II)titanium(IV) monohydrate, [Cu(TiF 6 )(phen)(H 2 O) 3 ]·H 2 O (phen is 1,10-phenanthroline, C 12 H 8 N 2 ), (I), triaqua-2κ 3 O -μ-fluorido-pentafluorido-1κ 5 F -(1,10-phenanthroline-2κ 2 N , N ′)copper(II)zirconium(IV) monohydrate, [Cu(ZrF 6 )(phen)(H 2 O) 3 ]·H 2 O, (II), and triaqua-2κ 3 O -μ-fluorido-pentafluorido-1κ 5 F -(1,10-phenanthroline-2κ 2 N , N ′)copper(II)hafnium(IV) monohydrate, [Cu(HfF 6 )(phen)(H 2 O) 3 ]·H 2 O, (III), and one molecular salt, bis[diaquafluorido(1,10-phenanthroline-κ 2 N , N ′)copper(II)] hexafluoridohafnate(IV) dihydrate, [CuF(phen)(H 2 O) 2 ] 2 [HfF 6 ]·2H 2 O, (IV), are reported. The bridged bimetallic compounds adopt Λ-shaped configurations, with the octahedrally coordinated copper(II) center linked to the fluorinated early transition metal via a fluoride linkage. The extended structures of these Λ-shaped compounds are organized through both intra- and intermolecular hydrogen bonds and intermolecular π–π stacking. The salt compound [Cu(phen)(H 2 O) 2 F] 2 [HfF 6 ]·H 2 O displays an isolated square-pyramidal Cu(phen)(H 2 O) 2 F + complex linked to other cationic complexes and isolated HfF 6 2− anions through intermolecular hydrogen-bonding interactions. 
    more » « less
  2. The title compound, C 10 H 13 NO 2 S, was synthesized by a nucleophilic substitution reaction between allyl amine and p -toluenesulfonyl chloride. The sulfonate S—O bond lengths are 1.4282 (17) and 1.4353 (17) Å, and the C—N—S—C torsion angle involving the sulfonamide moiety is −61.0 (2)°. In the crystal, centrosymmetric dimers of the title compound are present via intermolecular N—H...O hydrogen bonds between sulfonamide groups. These dimers are linked into ribbons along the c -axis direction through offset π–π interactions. 
    more » « less
  3. In an attempt to grow 8-hydroxyquinoline–acetaminophen co-crystals from equimolar amounts of conformers in a chloroform–ethanol solvent mixture at room temperature, the title compound, C 9 H 7 NO, was obtained. The molecule is planar, with the hydroxy H atom forming an intramolecular O—H...N hydrogen bond. In the crystal, molecules form centrosymmetric dimers via two O—H...N hydrogen bonds. Thus, the hydroxy H atoms are involved in bifurcated O—H...N hydrogen bonds, leading to the formation of a central planar four-membered N 2 H 2 ring. The dimers are bound by intermolecular π–π stacking [the shortest C...C distance is 3.2997 (17) Å] and C—H...π interactions into a three-dimensional framework. The crystal grown represents a new monoclinic polymorph in the space group P 2 1 / n . The molecular structure of the present monoclinic polymorph is very similar to that of the orthorhombic polymorph (space group Fdd 2) studied previously [Roychowdhury et al. (1978). Acta Cryst. B 34 , 1047–1048; Banerjee & Saha (1986). Acta Cryst. C 42 , 1408–1411]. The structures of the two polymorphs are distinguished by the different geometries of the hydrogen-bonded dimers, which in the crystal of the orthorhombic polymorph possess twofold axis symmetry, with the central N 2 H 2 ring adopting a butterfly conformation. 
    more » « less
  4. The molecular structure of the title compound, C 11 H 15 NO 2 S, features a sulfonamide group with S=O bond lengths of 1.4357 (16) and 1.4349 (16) Å, an S—N bond length of 1.625 (2) Å, and an S—C bond length of 1.770 (2) Å. When viewing the molecule down the S—N bond, both N—C bonds of the pyrrolidine ring are oriented gauche to the S—C bond with torsion angles of −65.6 (2)° and 76.2 (2)°. The crystal structure features both intra- and intermolecular C—H...O hydrogen bonds, as well as intermolecular C—H...π and π–π interactions, leading to the formation of sheets parallel to the ac plane. 
    more » « less
  5. In the title compound, 3-[(2-acetamidophenyl)imino]butan-2-one, C 12 H 14 N 2 O 2 , the imine C=N bond is essentially coplanar with the ketone C=O bond in an s-trans conformation. The benzene ring is twisted away from the plane of the C=N bond by 53.03 (14)°. The acetamido unit is essentially coplanar with the benzene ring. In the crystal, molecules are connected into chains along the c axis through C—H...O hydrogen bonds, with two adjacent chains being hinged by C—H...O hydrogen bonds. 
    more » « less