Crystal Structure of Diethylammonium p-Aminobenzoate (Nevanide)

1999 ◽  
Vol 52 (6) ◽  
pp. 625 ◽  
Author(s):  
Graham Smith ◽  
Colin H. L. Kennard ◽  
Karl A. Byriel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Ion Pairs ◽  
Three Dimensional ◽  
The Other ◽  
Monoclinic Space Group ◽  
Dimensional Network ◽  
A Cell ◽  
Amine Groups

The crystal structure of Nevanide (diethylammonium p-aminobenzoate) has been determined and refined to a residual R 0·055 for 2797 observed reflections. Crystals are monoclinic, space group C 2/c, with 32 ion pairs in a cell with dimensions a 29·510(6), b 17·150(1), c 20·473(5) Å, β 115·153(9)°. The structure is made up of a network of hydrogen-bonded ions; in this network the 4-aminobenzoate anions form a primary cyclic tetramer unit in which the amine groups of two residues are linked tail to tail through hydrogen bonds to single carboxylate oxygens of the other two residues. All oxygens are then linked peripherally to layers of diethylammonium cations by strong hydrogen bonding, with all possible hydrogen bonding sites utilized, giving a three-dimensional network array.

scholarly journals Crystal structure and hydrogen bonding in the water-stabilized proton-transfer salt brucinium 4-aminophenylarsonate tetrahydrate

2016 ◽  
Vol 72 (5) ◽  
pp. 751-755 ◽  
Author(s):  
Graham Smith ◽  
Urs D. Wermuth
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Network Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Arsanilic Acid ◽  
Dimensional Network

In the structure of the brucinium salt of 4-aminophenylarsonic acid (p-arsanilic acid), systematically 2,3-dimethoxy-10-oxostrychnidinium 4-aminophenylarsonate tetrahydrate, (C23H27N2O4)[As(C6H7N)O2(OH)]·4H2O, the brucinium cations form the characteristic undulating and overlapping head-to-tail layered brucine substructures packed along [010]. The arsanilate anions and the water molecules of solvation are accommodated between the layers and are linked to them through a primary cation N—H...O(anion) hydrogen bond, as well as through water O—H...O hydrogen bonds to brucinium and arsanilate ions as well as bridging water O-atom acceptors, giving an overall three-dimensional network structure.

scholarly journals Crystal structure of 5-(1-benzofuran-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-ol

2015 ◽  
Vol 71 (7) ◽  
pp. o492-o493
Author(s):  
A. J. Ravi ◽  
A. C. Vinayaka ◽  
S. Jeyaseelan ◽  
M. P. Sadashiva ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
The Other ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

In the title compound, C18H15NO3, the isoxazole moiety adopts a shallow envelope conformation, with the C atom bearing the OH group displaced by 0.148 (1) Å from the mean plane through the other four atoms. The mean plane of this ring (all atoms) subtends dihedral angles of 87.19 (6) and 15.51 (7)° with the benzofuran ring system (r.m.s. deviation = 0.007 Å) and the 4-methylphenyl ring, respectively. In the crystal, molecules are linked by O—H...N hydrogen bonds, generating [001]C(5) chains, with adjacent molecules in the chain related byc-glide symmetry. Weak C—H...O interactions link the chains into a three-dimensional network.

scholarly journals 2-Methylbenzene-1,3-diammonium dinitrate

2014 ◽  
Vol 70 (2) ◽  
pp. o204-o204 ◽  
Author(s):  
Dhouha Ben Hassen ◽  
Walid Rekik ◽  
Houcine Naïli ◽  
Tadeusz Lis ◽  
Roman Grobelny
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Nitrate Ions ◽  
Dimensional Network ◽  
Protonated Amine ◽  
Centroid Distance ◽  
Amine Groups

In the crystal structure of the title salt, C7H12N22+·2NO3−, the nitrate ions are located in the vicinity of the protonated amine groups, accepting strong N—H...O hydrogen bonds. Each ammonium group is involved in a total of three such interactions with neighbouring nitrate ions, generating a three-dimensional network. In addition, there are π–π interactions between the aromatic rings of centrosymmetrically related diammonium moieties, with a centroid–centroid distance of 3.682 (1) Å.

scholarly journals The effect of hydrogen bonding on the conformations of 2-(1H-indol-3-yl)-2-oxoacetamide and 2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide

2012 ◽  
Vol 68 (10) ◽  
pp. o405-o407 ◽  
Author(s):  
Vijayakumar N. Sonar ◽  
Sean Parkin ◽  
Peter A. Crooks
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Carbonyl Groups ◽  
Single Bond ◽  
Torsion Angles ◽  
Bonding System ◽  
Dimensional Network ◽  
Hydrogen Bonding System

In the title compounds, C10H8N2O2, (I), and C12H12N2O2, (II), the two carbonyl groups are oriented with torsion angles of −149.3 (3) and −88.55 (15)°, respectively. The single-bond distances linking the two carbonyl groups are 1.528 (4) and 1.5298 (17) Å, respectively. In (I), the molecules are linked by an elaborate system of N—H...O hydrogen bonds, which form adjacentR22(8) andR42(8) ring motifs to generate a ladder-like construct. Adjacent ladders are further linked by N—H...O hydrogen bonds to build a three-dimensional network. The hydrogen bonding in (II) is far simpler, consisting of helical chains of N—H...O-linked molecules that follow the 21screw of thebaxis. It is the presence of an elaborate hydrogen-bonding system in the crystal structure of (I) that leads to the different torsion angle for the orientation of the two adjacent carbonyl groups from that in (II).

scholarly journals Crystal structure of 1,4-bis(3-ammoniopropyl)piperazine-1,4-diium bis[dichromate(VI)]

2016 ◽  
Vol 72 (5) ◽  
pp. 616-619
Author(s):  
S. Vetrivel ◽  
E. Vinoth ◽  
R. U. Mullai ◽  
R. Aruljothi ◽  
M. NizamMohideen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Network Structure ◽  
Three Dimensional ◽  
Chair Conformation ◽  
The Other ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Piperazine Ring ◽  
Dimensional Network

The asymmetric unit of the organic–inorganic title salt, (C10H28N4)[Cr2O7]2, comprises one half of an 1,4-bis(3-ammoniopropyl)piperazinediium cation (the other half being generated by the application of inversion symmetry) and a dichromate anion. The piperazine ring of the cation adopts a chair conformation, and the two CrO4tetrahedra of the anion are in an almost eclipsed conformation. In the crystal, the cations and anions form a layered arrangement parallel to (001). N—H...O hydrogen bonds between the cations and anions and additional C—H...O interactions lead to the formation of a three-dimensional network structure.

scholarly journals Crystal structure of poly[diaqua(μ2-benzene-1,4-dicarboxylato-κ2O1:O4)(μ2-benzene-1,4-dicarboxylato-κ4O1,O1′:O4,O4′)bis(μ2-3,3′,5,5′-tetramethyl-4,4′-bipyrazole-κ2N:N′)dinickel(II)]

2015 ◽  
Vol 71 (6) ◽  
pp. m127-m128
Author(s):  
Chao Wu ◽  
Peng Cao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Crystal Packing ◽  
Three Dimensional ◽  
The Other ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit of the polymeric title compound, [Ni(C8H4O4)(C10H14N4)(H2O)]n, contains one Ni2+cation, one coordinating water molecule, one 3,3′,5,5′-tetramethyl-4,4′-bipyrazole ligand and half each of two benzene-1,4-dicarboxylate anions, the other halves being generated by inversion symmetry. The Ni2+cation exhibits an octahedral N2O4coordination sphere defined by the O atoms of the water molecule and two different anions and the N atoms of two symmetry-relatedN-heterocycles. TheN-heterocycles and both anions bridge adjacent Ni2+cations into a three-dimensional network structure, with one of the anions in a bis-bidentate and the other in a bis-monodentate bridging mode. N—H...O and O—H...O hydrogen bonds between the N-heterocycles and water molecules as donor groups and the carboxylate O atoms as acceptor groups consolidate the crystal packing.

scholarly journals Comparison of the crystal structures of the low- and high-temperature forms of bis[4-(dimethylamino)pyridine]dithiocyanatocobalt(II)

2021 ◽  
Vol 77 (11) ◽  
Author(s):  
Christoph Krebs ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Low Temperature ◽  
Hydrogen Bonds ◽  
Room Temperature ◽  
Three Dimensional ◽  
Monoclinic Space Group ◽  
Temperature Form ◽  
Dimensional Network ◽  
High Temperature Form

Single crystals of the high-temperature form I of [Co(NCS)2(DMAP)2] (DMAP = 4-dimethylaminopyridine, C7H10N2) were obtained accidentally by the reaction of Co(NCS)2 with DMAP at slightly elevated temperatures under kinetic control. This modification crystallizes in the monoclinic space group P21/m and is isotypic with the corresponding Zn compound. The asymmetric unit consists of one crystallographically independent Co cation and two crystallographically independent thiocyanate anions that are located on a crystallographic mirror plane and one DMAP ligand (general position). In its crystal structure the discrete complexes are linked by C—H...S hydrogen bonds into a three-dimensional network. For comparison, the crystal structure of the known low-temperature form II, which is already thermodynamically stable at room temperature, was redetermined at the same temperature. In this polymorph the complexes are connected by C—H...S and C—H...N hydrogen bonds into a three-dimensional network. At 100 K the density of the high-temperature form I (ρ = 1.457 g cm−3) is lower than that of the low-temperature form II (ρ = 1.462 g cm−3), which is in contrast to the values determined by XRPD at room temperature. Therefore, these two forms represent an exception to the Kitaigorodskii density rule, for which extensive intermolecular hydrogen bonding in form II might be responsible.

scholarly journals Crystal structure of 1-ethyl-3-(2-oxo-1,3-dithiol-4-yl)quinoxalin-2(1H)-one

2018 ◽  
Vol 74 (7) ◽  
pp. 901-904 ◽  
Author(s):  
Nicolas Chrysochos ◽  
Carola Schulzke
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Functional Group ◽  
Three Dimensional ◽  
Monoclinic Space Group ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Bonding Interaction ◽  
Weak Hydrogen Bonds

The title compound I, C13H10N2O2S2, crystallizes in the monoclinic space group C2/c with eight molecules in the unit cell. Excluding for the ethyl substituent, the molecule of I adopts a nearly coplanar conformation (r.m.s. deviations is 0.058 Å), which is supported by the intramolecular C—H...O hydrogen-bonding interaction between the two ring systems [C...O = 2.859 (3) Å]. In the crystal, the molecules form dimeric associates via two bifurcated C—H...O hydrogen-bonding interactions between an ene hydrogen atom and a carbonyl functional group of an adjacent molecule [C...O = 3.133 (3) Å] and vice versa. The crystal structure is further stabilized by a three-dimensional network of weak hydrogen bonds between one molecule and six adjacent molecules as well as offset π–π stacking. The combination of the quinoxaline 2(1H)-one moiety with the dithiocarbonate moiety extends the aromaticity of the quinoxaline scaffold towards the substituent as well as influencing the π-system of the quinoxaline. The title compound is the direct precursor for a dithiolene ligand mimicking the natural cofactor ligand molybdopterin.

The structural properties of a noncentrosymmetric polymorph of 4-aminobenzoic acid

2014 ◽  
Vol 70 (3) ◽  
pp. 323-325 ◽  
Author(s):  
Rim Benali-Cherif ◽  
Radhwane Takouachet ◽  
El-Eulmi Bendeif ◽  
Nourredine Benali-Cherif
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Three Dimensional ◽  
The Other ◽  
Aminobenzoic Acid ◽  
Ring Plane ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Benzene Ring Plane

The crystal structure of a polymorph of 4-aminobenzoic acid (PABA), C7H7NO2, at 100 K is noncentrosymmetric, as opposed to centrosymmetric in the structures of the other known polymorphs. The two crystallographically independent PABA molecules form pseudocentrosymmetric O—H...O hydrogen-bonded dimers that are further linked by N—H...O hydrogen bonds into a three-dimensional network. The benzene rings stack in thebdirection. The CO2moieties are bent out slightly from the benzene ring plane.

scholarly journals Poly[[diaquadeca-μ2-cyanido-κ20C:N-hexacyanido-κ6C-bis(μ2-5-methylpyrimidine-κ2N:N′)bis(5-methylpyrimidine-κN)tricopper(II)ditungstate(V)] dihydrate]

2014 ◽  
Vol 70 (2) ◽  
pp. m47-m48
Author(s):  
Yoshihide Tsunobuchi ◽  
Souhei Kaneko ◽  
Koji Nakabayashi ◽  
Shin-ichi Ohkoshi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Coordination Polyhedron ◽  
Three Dimensional ◽  
Title Complex ◽  
Trigonal Prism ◽  
The Other ◽  
Water Molecules ◽  
The Third ◽  
Dimensional Network

In the title complex, {[Cu3[W(CN)8]2(C5H6N2)4(H2O)2]·2H2O}n, the coordination polyhedron of the eight-coordinated WVatom is a bicapped trigonal prism, in which five CN groups are bridged to CuIIions, and the other three CN groups are terminally bound. Two of the CuIIions lie on a centre of inversion and each of the three independent CuIIcations is pseudo-octahedrally coordinated. In the crystal structure, cyanido-bridged-Cu—W—Cu layers are linked by pillars involving the third independent CuIIion, generating a three-dimensional network with non-coordinating water molecules and 5-methylpyrimidine molecules. O—H...O and O—H...N hydrogen bonds involve the coordinating and non-coordinating water molecules, the CN groups and the 5-methylpyrimidine molecules.

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