scholarly journals 4-Methylanilinium 3-carboxy-4-hydroxybenzenesulfonate

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
S. Kalaiyarasi ◽  
S. Suresh ◽  
R. Akilan ◽  
R. Mohan Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Sulfonate Group ◽  
Centroid Distance ◽  
Anions And Cations ◽  
Graph Set ◽  
Molecular Salt

In the title molecular salt, C7H10N+·C7H5O6S−, the anion is deprotonated at the hydroxy O atom of the sulfonate group. In the anion, an intra-ionic O—H...O hydrogen bond generates anS(6) graph-set motif. In the crystal, the inter-ionic N—H...O and O—H...O hydrogen bonds generate anR24(12) ring-set motif, linking the anions and cations into an infinite three-dimensional framework. The crystal structure also features C—H...π and π–π [centroid-to-centroid distance = 3.5946 (11) Å] interactions.

scholarly journals 1H-Benzo[d]imidazol-3-ium (Z)-3-carboxyprop-2-enoate

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
M. Amudha ◽  
B. Gunasekaran ◽  
P. Praveen Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Anions And Cations ◽  
Graph Set ◽  
Molecular Salt ◽  
Ring Motif

In the anion of the title molecular salt, C7H7N2+.C4H3O4−, an O—H...O hydrogen bond generates anS(7) graph-set motif while a pair of intermolecular N—H...O and C—H...O hydrogen bonds generate anR44(10) ring-motif. Adjacent anions and cations are further connected through N—H...O hydrogen bonds into infinite chains along [101] and these chains are linked by C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structure of 2,5-dimethylanilinium salicylate

2015 ◽  
Vol 71 (9) ◽  
pp. o643-o644 ◽  
Author(s):  
A. Mani ◽  
P. Praveen Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Salicylic Acid ◽  
Hydrogen Bonds ◽  
Transfer Reaction ◽  
Three Dimensional ◽  
Proton Transfer Reaction ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Molecular Salt

The title molecular salt, C8H12N+·C7H5O3−arose from the proton-transfer reaction between 2,5-xylidine and salicylic acid. In the anion, the dihedral angle between the planes of the aromatic ring and the –CO2−group is 11.08 (8)°; this near planarity is consolidated by an intramolecular O—H...O hydrogen bond. In the crystal, the components are connected by N—H...O hydrogen bonds, with all three O atoms in the anion acting as acceptors; the result is a [100] chain. The structure also features weak C—H...O bonds and aromatic π–π stacking [centroid-to-centroid distance = 3.7416 (10) Å] interactions, which lead to a three-dimensional network.

scholarly journals Crystal structure of a second triclinic polymorph of 2-methylpyridinium picrate

2015 ◽  
Vol 71 (11) ◽  
pp. o848-o849
Author(s):  
Jeganathan Gomathi ◽  
Doraisamyraja Kalaivani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Graph Set ◽  
Molecular Salt

The title molecular salt, C6H8N+·C6H2N3O7−(systematic name: 2-methylpyridinium 2,4,6-trinitrophenolate), crystallizes with two cations and two anions in the asymmetric unit. In the crystal, the cations are linked to the anionsviabifurcated N—H...(O,O) hydrogen bonds, generatingR12(6) graph-set motifs. Numerous C—H...O hydrogen bonds are observed between these cation–anion pairs, which result in a three-dimensional network. In addition, weak aromatic π–π stacking between the 2-methylpyridinium rings [inter-centroid distance = 3.8334 (19) Å] and very weak stacking [inter-centroid distance = 4.0281 (16) Å] between inversion-related pairs of picrate anions is observed. The title salt is a second triclinic polymorph of the structure (also withZ′ = 2) reported earlier [Anitaet al.(2006).Acta Cryst.C62, o567–o570; Chanet al.(2014).CrystEngComm,16, 4508–4538]. In the title compound, the cations and anions display a chequerboard arrangement when viewed down [100], whereas in the first polymorph, (010) layers of alternating cations and anions are apparent in a [100] view. It is interesting that the unit-cell lengths are almost identical for the two polymorphs, although the inter-axial angles are quite different.

scholarly journals Crystal structure of creatininium 5-(2,4-dinitrophenyl)-1,3-dimethylbarbiturate monohydrate: a potential anticonvulsant agent

2016 ◽  
Vol 72 (5) ◽  
pp. 620-623
Author(s):  
Ponnusamy Poornima Devi ◽  
Doraisamyraja Kalaivani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
Membered Ring ◽  
Anticonvulsant Agent ◽  
The Mean ◽  
Anions And Cations ◽  
Molecular Salt

In the anion of the title hydrated molecular salt, C4H8N3O+·C12H9N4O7−·H2O [systematic name: 2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate monohydrate], the 2,4-dinitrophenyl ring is inclined to the mean plane of the pyrimidine ring [r.m.s. deviation = 0.37 Å] by 43.24 (8)°. The five-membered ring of the creatininium cation (2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium) is essentially planar with an r.m.s. deviation of 0.015 Å. In the crystal, the anions and cations are linkedviaN—H...O hydrogen bonds, forming sheets parallel to theabplane. The sheets are linkedviaO—H...O hydrogen bonds involving the water molecule, forming a three-dimensional framework. Within the framework, there are C—H...O hydrogen bonds present. The title molecular salt displays anticonvulsant and hypnotic activities.

scholarly journals Crystal structure of 4-bromo-2-(1H-imidazo[4,5-b]pyridin-2-yl)phenol

2015 ◽  
Vol 71 (12) ◽  
pp. o991-o992
Author(s):  
Kamel Ouari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Bond Forming ◽  
Pyridine Moiety ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C12H8BrN3O, the 4-bromophenol ring is coplanar with the planar imidazo[4,5-b]pyridine moiety (r.m.s deviation = 0.015 Å), making a dihedral angle of 1.8 (2)°. There is an intramolecular O—H...N hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linkedviaN—H...N and O—H...Br hydrogen bonds, forming undulating sheets parallel to (10-2). The sheets are linked by π–π interactions [inter-centroid distance = 3.7680 (17) Å], involving inversion-related molecules, forming a three-dimensional structure.

scholarly journals 4-Methylanilinium 3-carboxy-2-hydroxypropanoate

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
S. Kalaiyarasi ◽  
S. Reena Devi ◽  
R. Akilan ◽  
R. Mohan Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Carboxylic Acid Groups ◽  
Dimensional Network ◽  
Anions And Cations ◽  
Graph Set ◽  
Molecular Salt

The title molecular salt, C7H10N+·C4H5O5−, contains a 4-methylanilinium cation and a 3-carboxy-2-hydroxypropanoate (hydrogen 2-hydroxysuccinate) anion in the asymmetric unit. The cation is protonated at the amine N atom and the anion is deprotonated at one of the hydroxy O atoms of the carboxylic acid groups. An O—H...O hydrogen bond in the anion generates anS(5) graph-set motif. An N—H...O hydrogen bond links the anion and cation in the asymmetric unit. In the crystal, N—H...O and O—H...O hydrogen bonds link adjacent anions and cations, forming a two-dimensional network parallel to theacplane and enclosingR23(12),R23(14) andR32(10) ring motifs.

scholarly journals Benzene-1,2-diaminium bis(hydrogen phosphonate)

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Md. Zahid ◽  
R. Akilan ◽  
T. Ganesh ◽  
R. Mohan Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Centroid Distance ◽  
Molecular Salt ◽  
Ring Motif

The asymmetric unit of the title molecular salt, C6H10N2 2+·2H2PO3 −, contains half of a benzene-1,2-diaminium cation and a phosphite anion, the complete cation being generated by a crystallographic mirror plane. In the crystal, N—H...O hydrogen bonds generate R 2 2(9) and R 2 2(8) ring motifs and O—H...O hydrogen bonds generate an R 2 2(8) ring motif. Overall, these generate a three-dimensional framework. The crystal structure also features π–π interactions [centroid-to-centroid distance = 3.8642 (7) Å].

scholarly journals BenzimidazoliumL-aspartate

IUCrData ◽  
2016 ◽  
Vol 1 (5) ◽  
Author(s):  
M. Amudha ◽  
P. Praveen Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Carboxyl Groups ◽  
Benzimidazole Ring ◽  
Π Interactions ◽  
Graph Set ◽  
Molecular Salt

In the cation of the title molecular salt, C7H7N2+·C4H6NO4−(systematic name: 1H-benzo[d]imidazol-3-ium 2-azaniumylsuccinate), the benzimidazole ring system is almost planar (r.m.s. deviation = 0.012 Å). The cation is protonated at the N atom and the L-aspartate zwitterion is deprotonated at both carboxyl groups. In the anion, an N—H...O hydrogen bond and an N—H...O short contact generateS(6) graph-set motifs. In the crystal, the anions are linkedviathree N—H...O hydrogen bonds involving the NH3+group, forming layers parallel to theabplane. The benzimidazolium cations are linked to these layers by N—H...O hydrogen bonds. The layers are linkedviaC—H...O hydrogen bonds involving the benzimidazolium cation, forming a three-dimensional structure. There are also C—H...π interactions present involving inversion-related benzimidazolium cations.

scholarly journals (E)-5-{4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzylidene}thiazolidine-2,4-dione

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
K. Balakumaran ◽  
J. Mosesbabu ◽  
Jayashree Anireddy ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angles ◽  
One Dimensional ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Graph Set ◽  
Thiazolidine Ring

In the title compound, C19H18N2O3S, the thiazolidine ring makes dihedral angles of 46.97 (8) and 7.19 (9)° with the pyridine and benzene rings, respectively. The intramolecular structure is stabilized by a weak C—H...S hydrogen bond, which generates a S(6) graph-set motif, and a weak C—H...O contact. In the crystal, N—H...N and C—H...O hydrogen bonds leads to infinite one-dimensional chains along (201) and generate an R 2 2(7) ring-set motif. The crystal structure is further consolidated by weak π–π [centroid-to-centroid distance = 3.8204 (10) Å] interactions.

scholarly journals Crystal structure of (E)-3-(4-hydroxybenzyl)-4-{[4-(methylsulfanyl)benzylidene]amino}-1H-1,2,4-triazole-5(4H)-thione

2015 ◽  
Vol 71 (12) ◽  
pp. o982-o983
Author(s):  
P. S. Manjula ◽  
B. K. Sarojini ◽  
B. Narayana ◽  
K. Byrappa ◽  
S. Madan Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C17H16N4OS2, the triazole and methylthiobenzylidene rings are nearly coplanar, making a dihedral angle of 6.52 (12)°. An intramolecular C—H...S hydrogen bond forms anS(6) ring motif. The hydroxybenzyl ring is almost normal to the triazole and methylthiobenzylidene rings, making dihedral angles of 78.56 (12) and 84.79 (11)°, respectively. In the crystal, molecules are linked through O—H...N and N—H...O hydrogen bonds, forming layers parallel to theacplane. The layers are linkedviaC—H...N hydrogen bonds, forming a three-dimensional structure. In addition, a short π–π interaction is observed [inter-centroid distance = 3.764 (3) Å], involving inversion-related methylthiobenzylidene rings.

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