The Crystal and Molecular Structure of the 1:1 Adduct Hydrate of Pyrazine-2,3-dicarboxylic Acid with 1,1-Diethylurea

2000 ◽  
Vol 53 (12) ◽  
pp. 999 ◽  
Author(s):  
Graham Smith ◽  
Colin H. L. Kennard
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Dicarboxylic Acid ◽  
Lattice Water Molecule ◽  
Crystal And Molecular Structure ◽  
Acid Group ◽  
X Ray Diffraction ◽  
Carboxylic Acid Group ◽  
X Ray ◽  
Bonding Interaction

The adduct hydrate of 1,1-diethylurea with pyrazine-2,3-dicarboxylic acid, [(C6H4N2O4)(C5H12N2O)].H2O has been prepared and characterized using low-temperature single-crystal X-ray diffraction methods. A primary asymmetric cyclic hydrogen-bonding interaction, similar to those found in other adducts of 1,1-diethylurea with the nitro-substituted aromatic acids, was found between the amide group of the substituted urea and one carboxylic acid group of the acid. Further peripheral hydrogen-bonding associations involving both the f irst and the second carboxylic acid groups, urea and the lattice water molecule result in a ribbon polymer structure.

A two-dimensional copper(II) coordination polymer based on 2-propyl-1H-imidazole-4,5-dicarboxylic acid

2015 ◽  
Vol 71 (2) ◽  
pp. 152-154 ◽  
Author(s):  
Di-Chang Zhong ◽  
Hua-Bin Guo ◽  
Ji-Hua Deng ◽  
Ping Lian ◽  
Xu-Zhong Luo
Keyword(s):  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Dicarboxylic Acid ◽  
Three Dimensional ◽  
Acid Group ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Carboxylic Acid Group ◽  
X Ray ◽  
Hydrogen Bond Interactions

Single-crystal X-ray diffraction analysis of poly[bis(μ2-5-carboxy-2-propyl-1H-imidazole-4-carboxylato-κ3N3,O4:O5)copper(II)], [Cu(C8H9N2O4)2)]n, indicates that one carboxylic acid group of the 2-propyl-1H-imidazole-4,5-dicarboxylic acid (H3PDI) ligand is deprotonated. The resulting H2PDI−anion, acting as a bridge, connects the CuIIcations to form a two-dimensional (4,4)-connected layer. Adjacent layers are further linked through interlayer hydrogen-bond interactions, resulting in a three-dimensional supramolecular structure.

The Crystal Structure of Acifluorfen {5-[2-Chloro-4-(trifluoromethyl)-phenoxy]-2-nitrobenzoic Acid}

1987 ◽  
Vol 40 (6) ◽  
pp. 1131 ◽  
Author(s):  
CHL Kennard ◽  
G Smith ◽  
T Hari
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Phenyl Ring ◽  
Acid Group ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Carboxylic Acid Group ◽  
X Ray ◽  
Nitrobenzoic Acid ◽  
Cell Dimensions

The crystal structure of the herbicide acifluorfen (5-[(2-chloro-4-trifluoromethyl)]phenoxy-2- nitrobenzoic acid] has been determined by X-ray diffraction and refined to a residual of 0.051for 1124 observed reflections. Crystals are monoclinic, space group C2/c with cell dimensions a 26.848(7), b 8 .O29(2), c 19 .Ol4(6) �, ,R l34.72(2)� and Z 8. The molecules form centrosymmetric hydrogen-bonded cyclic dimers [O---0, 2.637(7) �] with the carboxylic acid group and the phenoxy group synclinally related to the first phenyl ring while the nitro substituent isessentially coplanar with the ring.

Inhibitors of the geotropic response in plants. The crystal structures of 2-[(Naphthalen-2-yl)carbamoyl]benzoic acid (β-Naptalam), 2-(Phenylcarbamoyl)-benzoic acid and 2-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid

1983 ◽  
Vol 36 (12) ◽  
pp. 2455 ◽  
Author(s):  
G Smith ◽  
CHL Kennard ◽  
GF Katekar
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Benzoic Acid ◽  
Crystal Structures ◽  
Carboxylic Acids ◽  
Intermolecular Hydrogen Bonding ◽  
X Ray Diffraction ◽  
X Ray ◽  
Carboxylic Acid Groups ◽  
Phthalamic Acid

The crystal structures of three geotropically active phthalamic acid derivatives have been determined by means of X-ray diffraction and the structural systematics for the series compared. The three acids are conformationally similar and, in contrast to the tendency among carboxylic acids to form hydrogen-bonded dimers, they exist as monomers with intermolecular hydrogen bonding between the carboxylic acid groups and the nitrogen or oxygen of the amide side chains.

scholarly journals Crystal structure of [propane-1,3-diylbis(piperidine-4,1-diyl)]bis[(pyridin-4-yl)methanone]–4,4′-oxydibenzoic acid (1/1)

2014 ◽  
Vol 70 (9) ◽  
pp. o1022-o1022
Author(s):  
Emily M. Low ◽  
Robert L. LaDuca
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Three Dimensional ◽  
Acid Group ◽  
Carboxylic Acid Group ◽  
Crystal Direction ◽  
Oriented Parallel ◽  
Supramolecular Chains ◽  
Dimensional Crystal

In the title co-crystal, C25H32N4O2·C14H10O5, molecules are connected into supramolecular chains aligned along [102] by O—H...N hydrogen bonding. These aggregate into supramolecular layers oriented parallel to (20-1) by C—H...O interactions. These layers then stack in anABABpattern along theccrystal direction to give the full three-dimensional crystal structure. The central chain in the dipyridylamide has ananti–anticonformation. The dihedral angle between the aromatic ring planes is 29.96 (3)°. Disorder is noted in some of the residues in the structure and this is manifested in two coplanar dispositions of one statistically disordered carboxylic acid group.

scholarly journals Crystallographic and spectroscopic characterization of (R)-O-acetylmandelic acid

2016 ◽  
Vol 72 (7) ◽  
pp. 901-903
Author(s):  
Cady Cirbes ◽  
Joseph M. Tanski
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Mandelic Acid ◽  
Phenylacetic Acid ◽  
Spectroscopic Characterization ◽  
Acid Group ◽  
Intermolecular Hydrogen Bonding ◽  
Carboxylic Acid Group ◽  
Donor Acceptor

The title compound [systematic name: (R)-(−)-2-acetoxy-2-phenylacetic acid], C10H10O4, is a resolved chiral ester derivative of mandelic acid. The compound contains an acetate group and a carboxylic acid group, which engage in intermolecular hydrogen bonding, forming chains extending parallel to [001] with a short donor–acceptor hydrogen-bonding distance of 2.676 (2) Å.

scholarly journals Crystal structures of (E)-1-naphthaldehyde oxime and (E)-phenanthrene-9-carbaldehyde oxime

2018 ◽  
Vol 74 (3) ◽  
pp. 332-336
Author(s):  
Jamal Lasri ◽  
Katherine Chulvi ◽  
Naser Eltaher Eltayeb
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Hydroxylamine Hydrochloride ◽  
Dihedral Angles ◽  
Hydrogen Bonding Interaction ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Bonding Interaction ◽  
Polymeric Chains

The aldoximes C11H9NO (I) and C15H11NO (II), synthesized inca90% yield, by treatment of 1-naphthaldehyde or phenanthrene-9-carbaldehyde, respectively, with hydroxylamine hydrochloride and sodium carbonate, have been characterized by IR,1H,13C and DEPT-135 NMR spectroscopies, and also by single-crystal X-ray diffraction analysis. The molecules of (I) and (II) are conformationally similar, with the aldoxime substituent groups lying outside the planes of the naphthalene or phenanthrene rings, forming dihedral angles with them of 23.9 (4) and 27.9 (6)°, respectively. The crystal structures of both (I) and (II) are similar with a single intermolecular O—H...N hydrogen-bonding interaction, giving rise to the formation of one-dimensional polymeric chains extending along the 21(b) screw axes in each.

scholarly journals Supramolecular frameworks based on [60]fullerene hexakisadducts

2017 ◽  
Vol 13 ◽  
pp. 1-9 ◽  
Author(s):  
Andreas Kraft ◽  
Johannes Stangl ◽  
Ana-Maria Krause ◽  
Klaus Müller-Buschbaum ◽  
Florian Beuerle
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Carboxylic Acid ◽  
Structural Integrity ◽  
Structure Stability ◽  
Side Chains ◽  
X Ray Diffraction ◽  
X Ray

[60]Fullerene hexakisadducts possessing 12 carboxylic acid side chains form crystalline hydrogen-bonding frameworks in the solid state. Depending on the length of the linker between the reactive sites and the malonate units, the distance of the [60]fullerene nodes and thereby the spacing of the frameworks can be controlled and for the most elongated derivative, continuous channels are obtained within the structure. Stability, structural integrity and porosity of the material were investigated by powder X-ray diffraction, thermogravimetry and sorption measurements.

scholarly journals 4,4′-Dimethoxybiphenyl-3,3′-dicarboxylic acid

2014 ◽  
Vol 70 (5) ◽  
pp. o615-o615 ◽  
Author(s):  
Fredrik Lundvall ◽  
David Stephen Wragg ◽  
Pascal D. C. Dietzel ◽  
Helmer Fjellvåg
Keyword(s):  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Dicarboxylic Acid ◽  
Title Compound ◽  
Methoxy Group ◽  
Acid Group ◽  
Asymmetric Unit ◽  
Carboxylic Acid Group ◽  
Compound C ◽  
Solvothermal Conditions

The title compound, C16H14O6, was recrystallized under solvothermal conditions. The molecules are located on inversion centres, with one complete molecule generated from the asymmetric unit by inversion. There are intramolecular O—H...O hydrogen bonds involving the carboxylic acid group and the O atom of the adjacent methoxy group. In the crystal, molecules are linkedviaO—H...O hydrogen bonds, forming chains propagating along [100]. The chains are linkedviaC—H...O hydrogen bonds, forming sheets parallel to (001).

scholarly journals Crystallographic and spectroscopic characterization of 4-nitro-2-(trifluoromethyl)benzoic acid and 4-nitro-3-(trifluoromethyl)benzoic acid

2019 ◽  
Vol 75 (4) ◽  
pp. 524-528
Author(s):  
George L. Diehl III ◽  
Lisa Je ◽  
Joseph M. Tanski
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Benzoic Acid ◽  
Nitro Group ◽  
Spectroscopic Characterization ◽  
Acid Group ◽  
Carboxylic Acid Group ◽  
Donor Acceptor ◽  
Graph Set

The title compounds, both C8H4F3NO4, represent two isomers of nitro trifluoromethyl benzoic acid. The compounds each contain a nitro functionality para to the carboxylic acid group, with the trifluoromethyl substituent ortho to the acid group in the 2-isomer and ortho to the nitro group in the 3-isomer. The regiochemistry with respect to the trifluoromethyl group results in steric interactions that rotate the carboxylic acid group or the nitro group out of the aromatic plane in the 2- and 3-isomer, respectively. Each molecule engages in intermolecular hydrogen bonding, forming head-to-tail dimers with graph-set notation R 2 2(8) and donor–acceptor hydrogen-bonding distances of 2.7042 (14) Å in the 2-isomer and 2.6337 (16) in the 3-isomer. Recrystallization attempts did not yield untwinned crystals.

Study on a Structure of 2,6-pyridine-dicarboxylic Acid Cobalt Calcium Hexahydrate

2013 ◽  
Vol 739 ◽  
pp. 30-33
Author(s):  
Hai Xing Liu ◽  
Jing Zhong Xiao ◽  
Huan Mei Guo ◽  
Qing Hua Zhang ◽  
Zhang Xue Yu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dicarboxylic Acid ◽  
Hydrothermal Reaction ◽  
Crystal Packing ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Pyridinedicarboxylic Acid ◽  
Pyridine Dicarboxylic Acid

The complex C28H32CaCoN4O24has been synthesized from hydrothermal reaction and the crystal structure has been determined by means of single-crystal X-ray diffraction. The Co atom is six-coordinated by two N atoms, four O atoms from two 2,6-pyridinedicarboxylic acid. The Ca atom is eight-coordinated by two N atoms, six O atoms from two 2,6-pyridinedicarboxylic acid and two water molecular. The crystal packing is stabilized by O-H...O hydrogen bonding interactions.

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