scholarly journals 2-Amino-6-methylpyridinium 2,2,2-trichloroacetate

2014 ◽  
Vol 70 (4) ◽  
pp. o391-o392 ◽  
Author(s):  
K. Syed Suresh Babu ◽  
G. Peramaiyan ◽  
M. NizamMohideen ◽  
R. Mohan
Keyword(s):  
Hydrogen Bonds ◽  
Amino Group ◽  
Asymmetric Unit ◽  
Molecular Salt ◽  
Ring Motif ◽  
Hydrogen Bonded

In the asymmetric unit of the title molecular salt, C6H9N2+·C2Cl3O2−, there are two independent 2-amino-6-methylpyridinium cations and two independent trichloroacetate anions. The pyridine N atom of the 2-amino-6-methylpyridine molecule is protonated and the geometries of these cations reveal amine–imine tautomerism. Both protonated 2-amino-6-methylpyridinium cations are essentially planar [maximum deviations = 0.026 (2) and 0.012 (2) Å]. 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, forming anR22(8) ring motif. These motifs are connectedviaN—H...O and C—H...O hydrogen bonds to form slabs parallel to (101).

scholarly journals 6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1)

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Ramalingam Sangeetha ◽  
Kasthuri Balasubramani ◽  
Kaliyaperumal Thanigaimani ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Amino Group ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Carboxylate Oxygen ◽  
Molecular Salt ◽  
Ring Motif ◽  
Oxygen Atoms ◽  
Hydrogen Bonded

In the title molecular salt, C5H9N4+·C13H10NO2−·C5H8N4, the asymmetric unit consists of a 6-amino-3,4-dimethyl-1,2,4-triazin-1-ium cation, a 2-anilinobenzoate anion and a neutral 3-amino-5,6-dimethyl-1,2,4-triazine molecule. The typical intramolecular N...H—O hydrogen bond is observed in the 2-anilinobenzoate anion. In the crystal, the protonated N atom and the 3-amino group are hydrogen bonded to the carboxylate oxygen atomsviaa pair of N—H...O hydrogen bonds, forming anR22(8) ring motif. These motifs are further linked with adjacent neutral 3-amino-5,6-dimethyl-1,2,4-triazine molecules by N—H...O and N—H...N hydrogen bonds to produce centrosymmetric six-membered units, enclosingR22(8) andR34(9) ring motifs. They are reinforced by a C—H...N hydrogen bond and stack up theb-axis direction.

scholarly journals Crystal structure and Hirshfeld surface analysis of 2,4-diamino-6-phenyl-1,3,5-triazin-1-ium 4-methylbenzenesulfonate

2018 ◽  
Vol 74 (8) ◽  
pp. 1159-1162
Author(s):  
Ramalingam Sangeetha ◽  
Kasthuri Balasubramani ◽  
Kaliyaperumal Thanigaimani ◽  
Savaridasson Jose Kavitha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Hirshfeld Surface ◽  
Amino Group ◽  
Asymmetric Unit ◽  
Graph Set ◽  
Molecular Salt ◽  
Sulfonate Anion ◽  
Hydrogen Bonded

In the title molecular salt, C9H10N5 +·C7H7O3S−, the asymmetric unit consists of a 2,4-diamino-6-phenyl-1,3,5-triazin-1-ium cation and a 4-methylbenzenesulfonate anion. The cation is protonated at the N atom lying between the amine and phenyl substituents. The protonated N and amino-group N atoms are involved in hydrogen bonding with the sulfonate O atoms through a pair of intermolecular N—H...O hydrogen bonds, giving rise to a hydrogen-bonded cyclic motif with R 2 2(8) graph-set notation. The inversion-related molecules are further linked by four N—H...O intermolecular interactions to produce a complementary DDAA (D = donor, A = acceptor) hydrogen-bonded array, forming R 2 2(8), R 4 2(8) and R 2 2(8) ring motifs. The centrosymmetrically paired cations form R 2 2(8) ring motifs through base-pairing via N—H...N hydrogen bonds. In addition, another R 3 3(10) motif is formed between centrosymetrically paired cations and a sulfonate anion via N—H...O hydrogen bonds. The crystal structure also features weak S=O...π and π–π interactions. Hirshfeld surface and fingerprint plots were employed in order to further study the intermolecular interactions.

scholarly journals Hydrogen bonding in the crystal structure of the molecular salt of pyrazole–pyrazolium picrate

2016 ◽  
Vol 72 (6) ◽  
pp. 861-863 ◽  
Author(s):  
Ping Su ◽  
Xue-gang Song ◽  
Ren-qiang Sun ◽  
Xing-man Xu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Organic Salt ◽  
Asymmetric Unit ◽  
Molecular Salt ◽  
Hydrogen Bonded

The asymmetric unit of the title organic salt [systematic name: 1H-pyrazol-2-ium 2,4,6-trinitrophenolate–1H-pyrazole (1/1)], H(C3H4N2)2+·C6H2N3O7−, consists of one picrate anion and one hydrogen-bonded dimer of a pyrazolium monocation. The H atom involved in the dimer N—H...N hydrogen bond is disordered over both symmetry-unique pyrazole molecules with occupancies of 0.52 (5) and 0.48 (5). In the crystal, the component ions are linked into chains along [100] by two different bifurcated N—H...(O,O) hydrogen bonds. In addition, weak C—H...O hydrogen bonds link inversion-related chains, forming columns along [100].

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 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).

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 Hydrogen-bonding patterns in 5-fluorocytosine–melamine co-crystal (4/1)

2016 ◽  
Vol 72 (4) ◽  
pp. 552-555 ◽  
Author(s):  
Marimuthu Mohana ◽  
Packianathan Thomas Muthiah ◽  
Liurukara D. Sanjeewa ◽  
Colin D. McMillen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
The Other ◽  
Amino Group ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Twofold Axis ◽  
Ring Motif

The asymmetric unit of the title compound, 4C4H4FN3O·C3H6N6, comprises of two independent 5-fluorocytosine (5FC) molecules (AandB) and one half-molecule of melamine (M). The other half of the melamine molecule is generated by a twofold axis. 5FC moleculesAandBare linked through two different homosynthons [R22(8) ring motif]; one is formedviaa pair of N—H...O hydrogen bonds and the secondviaa pair of N—H...N hydrogen bonds. In addition to this pairing, the O atoms of 5FC moleculesAandBinteract with the N2 amino group on both sides of the melamine molecule, forming aDDAAarray of quadruple hydrogen bonds and generating a supramolecular pattern. The 5FC (moleculesAandB) and two melamine molecules interactviaN—H...O, N—H...N and N—H...O, N—H...N, C—H...F hydrogen bonds formingR66(24) andR44(15) ring motifs. The crystal structure is further strengthened by C—H...F, C—F...π and π–π stacking interactions.

The effect of partial methylation of the glycine amino group on crystal structure inN,N-dimethylglycine and its hemihydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o283-o287 ◽  
Author(s):  
Vasily S. Minkov ◽  
Elena V. Boldyreva
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecules ◽  
Amino Group ◽  
Asymmetric Unit ◽  
Partial Methylation ◽  
Space Groups ◽  
Carboxylate Groups ◽  
Anhydrous Compound ◽  
Additional Hydrogen

N,N-Dimethylglycine, C4H9NO2, and its hemihydrate, C4H9NO2·0.5H2O, are discussed in order to follow the effect of the methylation of the glycine amino group (and thus its ability to form several hydrogen bonds) on crystal structure, in particular on the possibility of the formation of hydrogen-bonded `head-to-tail' chains, which are typical for the crystal structures of amino acids and essential for considering amino acid crystals as mimics of peptide chains. Both compounds crystallize in centrosymmetric space groups (PbcaandC2/c, respectively) and have twoN,N-dimethylglycine zwitterions in the asymmetric unit. In the anhydrous compound, there are no head-to-tail chains but the zwitterions formR44(20) ring motifs, which are not bonded to each other by any hydrogen bonds. In contrast, in the crystal structure ofN,N-dimethylglycinium hemihydrate, the zwitterions are linked to each other by N—H...O hydrogen bonds into infiniteC22(10) head-to-tail chains, while the water molecules outside the chains provide additional hydrogen bonds to the carboxylate groups.

scholarly journals Bis(2-methylpiperidinium) naphthalene-1,5-disulfonate

2012 ◽  
Vol 68 (6) ◽  
pp. o1733-o1733
Author(s):  
Qian Xu
Keyword(s):  
Hydrogen Bonds ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Molecular Salt

In the structure of the title molecular salt, 2C6H14N+·C10H6O6S2 2−, the asymmetric unit consists of one 2-methylpiperidinium cation and one-half of a naphthalene-1,5-disulfonate anion; the anion lies across a centre of symmetry. In the crystal, the cations and anions are linked through N—H...O hydrogen bonds, forming a two-dimensional network.

scholarly journals 4-Cyano-3,5-bis(phenyl)pyrazole

IUCrData ◽  
2017 ◽  
Vol 2 (9) ◽  
Author(s):  
Ningfeng Zhao ◽  
Aanuoluwapo Adeyemi ◽  
Arielle Pompilius
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Ring Motif

There are two independent molecules in the asymmetric unit of the title compound, C16H11N3. The molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with anR22(6) ring motif.

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