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 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 2-Amino-4-methylpyridinium 2-(3-methylphenyl)acetate

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
P. Sivakumar ◽  
S. Sudhahar ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Anions And Cations ◽  
Molecular Salt ◽  
Ring Motif

In the title molecular salt, C6H9N2+·C9H9O2−, the cation is protonated at the pyridine N atom and the anion is deprotonated at the hydroxy O atom. The dihedral angle between the benzene and pyridine rings is 66.58 (10)°. In the molecular structure, a pair of N—H...O hydrogen bonds links the anion and cation, generating anR22(8) ring motif. These ring motifs are connected to adjacent anions and cationsviaintermolecular N—H...O hydrogen bonding, generating a bifurcatedR22(8) ring motif. C—H...O, C—H...π and π–π [centroid-to-centroid distances = 3.7053 (11) and 3.9547 (13) Å] interactions lead to the formation of a three-dimensional network.

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 2-Amino-4-methylpyridinium 4-hydroxybenzoate

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
P. Sivakumar ◽  
S. Sudhahar ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Anions And Cations ◽  
Molecular Salt ◽  
Ring Motif

In the title molecular salt, C6H9N2+·C7H5O3−, the cation is protonated at the pyridine N atom and the anion is deprotonated. The pyridine ring is inclined at an angle of 24.96 (11)° to the benzene ring. In the crystal, adjacent anions and cations are linked by a pair of N—H...O hydrogen bonds, generating anR22(8) ring motif; these motifs are further connected by another N—H...O and O—H...O hydrogen bonds into a three-dimensional network. The crystal structure also features weak C—H...O interactions.

scholarly journals Crystal structure of 4-amino-1-(4-methylbenzyl)pyridinium bromide

2014 ◽  
Vol 70 (12) ◽  
pp. o1293-o1294 ◽  
Author(s):  
N. Sharmila ◽  
T. V. Sundar ◽  
A. Yasodha ◽  
A. Puratchikody ◽  
B. Sridhar
Keyword(s):  
Hydrogen Bonds ◽  
Ion Pairs ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Pyridinium Bromide ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Anions And Cations ◽  
Molecular Salt ◽  
Ring Motif

The title molecular salt, C13H15N2+·Br−, crystallized with two independent ion pairs (AandB) in the asymmetric unit. In the cations, the planes of the pyridine and benzene rings are inclined to one another by 79.32 (8) and 82.30 (10)° in ion pairsAandB, respectively. In the crystal, the anions and cations are connected by N—H...Br hydrogen bonds, forming a centrosymmetric tetramer-like unit enclosing anR84(16) ring motif. These units are linkedviaC—H...Br hydrogen bonds, forming a three-dimensional network.

scholarly journals 2-Amino-4-methylpyridin-1-ium 2-(4-nitrophenyl)acetate

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
P. Sivakumar ◽  
C. Anzline ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Π Interactions ◽  
Dimensional Network ◽  
Anions And Cations ◽  
Molecular Salt ◽  
Ring Motif

In the title molecular salt, C6H9N2+·C8H6NO4−, the cation is protonated at its pyridine N atom. In the crystal, the anion and cation are connected by weak N—H...O hydrogen bonds, generating anR22(8) ring motif. A pair of N—H...O hydrogen bonds and a C—H...O contact generate anR23(19) ring motif. In the crystal, adjacent anions and cations are linked by N—H...O hydrogen bonds into infinite chains along [001]. The components are further linked by weak C—H...O contacts and C—H...π interactions, forming a three-dimensional network.

scholarly journals Pyrimethaminium 2-{[4-(trifluoromethyl)phenyl]sulfanyl}benzoate dimethyl sulfoxide monosolvate

2014 ◽  
Vol 70 (6) ◽  
pp. o683-o684 ◽  
Author(s):  
Thammarse S. Yamuna ◽  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
H.S. Yathirajan
Keyword(s):  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Dihedral Angle ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Graph Set ◽  
Molecular Salt

In the cation of the title solvated molecular salt, C12H14ClN4+·C14H8F3O2S−·C2H6OS [systematic name of the cation: 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium], the dihedral angle between the planes of the pyrimidinium and 4-chlorophenyl rings is 77.2 (5)°. In the anion, the planes of the benzene rings are twisted with respect to each other by 71.5 (5)°. Disorder was modelled for the dimethyl sulfoxide solvent molecule over two set of sites in a 0.7487 (13):0.2513 (13) ratio. In the crystal, the cations are linked by inversion-generated pairs of N—H...N hydrogen bonds, with anR22(8) graph-set motif. The cation donates two N—H...O hydrogen bonds to the anion, also generating anR22(8) loop. These interactions, along with cation–solvent N—H...O hydrogen bonds, and cation–anion C—H...F, solvent–anion C—H...O and C—H...F interactions, result in a three-dimensional network.

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 Adenin-1-ium hydrogen isophthalate dimethylformamide monosolvate

2014 ◽  
Vol 70 (2) ◽  
pp. o166-o167 ◽  
Author(s):  
Vandavasi Koteswara Rao ◽  
Tausif Siddiqui ◽  
Matthias Zeller ◽  
Sherri R. Lovelace-Cameron
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Interplanar Distance ◽  
Isophthalic Acid ◽  
Organic Salt ◽  
Acidic Proton ◽  
Dimensional Network ◽  
Lattice Space ◽  
Anions And Cations ◽  
Graph Set

In the title proton-transfer organic salt, C5H6.3N5+·C8H4.7O4−·C3H7NO, the adeninium moiety is protonated at the N atom in the 1-position of the 6-amino-7H-purin-1-ium (adeninium) cation. In the solid state, the second acidic proton of isophthalic acid is partially transferred to the imidazole N atom of the adeninium cation [refined O—HversusN—H ratio = 0.70 (11):0.30 (11)]. Through the partially transferred proton, the adeninium cation is strongly hydrogen bonded (N—H...O/O—H...N) to the isophthalate anion. This strong interaction is assisted by another N—H...O hydrogen bond originating from the adeninium NH2group towards the isophthalate keto O atom, with anR22(8) graph-set motif. This arrangement is linkedviaN—H...O hydrogen bonds to the O atoms of the carboxylate group of an isophthalate anion. Together, these hydrogen bonds lead to the formation criss-cross zigzag isophthalate...adeninium chains lying parallel to (501) and (50-1). The adeninium cations and the isophthalate anions are arranged in infinite π stacks that extend along thec-axis direction [interplanar distance = 3.305 (3) Å]. Molecules are inclined with respect to this direction and within the stacks they are offset by ca. half a molecule each. Combination of the N—H...O and O—H...N hydrogen bonds with the π–π interactions forms infinitely stacked isophthalate...adeninium chains, thus leading to a two-dimensional supramolecular structure with parallel interdigitating layers formed by theπstacked isophthalate...adeninium chains. The DMF molecules of crystallization are bonded to the adeninium cations through strong N—H...O hydrogen bonds and project into the lattice space in between the anions and cations. There are also C—H...O hydrogen bonds present which, combined with the other interactions, form a three-dimensional network. The crystal under investigation was found to be split and was handled as if non-merohedrally twinned.

scholarly journals 2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate

2014 ◽  
Vol 70 (8) ◽  
pp. o857-o858 ◽  
Author(s):  
Bellarmin Edison ◽  
Kasthuri Balasubramani ◽  
Kaliyaperumal Thanigaimani ◽  
Nuridayanti Che Khalib ◽  
Suhana Arshad ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Maximum Deviation ◽  
Zigzag Chain ◽  
Amino Group ◽  
Two Dimensional ◽  
Dimensional Network ◽  
Graph Set ◽  
Self Assembled ◽  
Molecular Salt ◽  
Ring Motif

In the title molecular salt, C4H6ClN4+·C5H7O4−, the cation is essentially planar, with a maximum deviation of 0.037 (1) Å for all non-H atoms. The anions are self-assembled through O—H...O hydrogen bonds, forming a supramolecular zigzag chain with graph-set notationC(8). In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxylate O atoms of the anionviaa pair of N—H...O hydrogen bonds with anR22(8) ring motif. This motif further self-organizes through N—H...O and O—H...O hydrogen bonds, generating an array of six hydrogen bonds, the rings having graph-set notationR32(8),R22(8),R42(8),R22(8) andR32(8). In addition, another type ofR22(8) motif is formed by inversion-related pyrimidinium cationsviaN—H...N hydrogen bonds, forming a two-dimensional network parallel to (101).

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