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Search query: methylbenzenesulfonate
15 articles match your search "methylbenzenesulfonate"Results 1 to 10, sorted by relevance:
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In the structure of the title compound, which consists of a unique benzene-1,2-diaminium dication charge-balanced by a pair of crystallographically independent 4-methylbenzene-1-sulfonate anions, the cations and anions are interlinked by several N—H
O hydrogen bonds.
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The title compound exists with one protonated imidazolium ring, one neutral imidazole ring, and a benzenesulfonate anion in the asymmetric unit. The imidazole rings are held together through hydrogen bonding via a protonated nitrogen on the ring.
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In the title compound, there are intermolecular S=O
N(nitro) interactions, with an O
N distance of 2.9840 (18) Å, between inversion-related molecules. The aromatic rings attached to the SO3 group are oriented in a gauche fashion around the ester S—O bond, with a C—S—O—C torsion angle of 84.68 (11)°.
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In a cadmium(II)–organic supramolecular coordination compound based on the multifunctional ligand 2-amino-5-sulfobenzoic acid, intermolecular hydrogen bonds link the mononuclear units into a novel threefold polycatenated two-dimensional (4,4) supramolecular layer, which is further extended into a three-dimensional supramolecular network through strong interlayer hydrogen bonds. The complex exhibits an irreversible dehydration–rehydration behaviour and a weak blue fluorescence emission in the solid state.
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In the crystal structures of nine new salts of the antifolate drugs trimethoprim and pyrimethamine, the pyrimidine N1 atom is protonated. The cation interacts with the corresponding anion primarily via a pair of N—H
O hydrogen bonds, generating the robust
(8) supramolecular heterosynthon. The pyrimidinium cation also forms base pairs via a pair of N—H
N hydrogen bonds, generating a ring motif [
(8) supramolecular homosynthon]. Quadruple DDAA/DADA arrays of hydrogen bonds and noncovalent Cl
Cl, Cl
O, C—Br
π, C—Cl
π, C—H
π and π–π interactions further stabilize the crystal structures.
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2-Ammonio-5-chloro-4-methylbenzenesulfonate, C7H8ClNO3S, (Ia), is an intermediate in the synthesis of lake red azo pigments. The present structure determination from single-crystal data confirms the results of a previous powder diffraction determination [Bekö, Thoms, Brüning, Alig, van de Streek, Lakatos, Glaubitz & Schmidt (2010). Z. Kristallogr. 225, 382-387]. The zwitterionic tautomeric form is confirmed. During a polymorph screening, two additional pseudopolymorphs were obtained, viz. 2-ammonio-5-chloro-4-methylbenzenesulfonate 1-methyl-2-pyrrolidone monosolvate, C7H8ClNO3S·C5H9NO, (Ib), and 2-ammonio-5-chloro-4-methylbenzenesulfonate dimethyl sulfoxide monosolvate, C7H8ClNO3S·C2H6OS, (Ic). The molecules of (Ib) have crystallographic m symmetry. The 1-methyl-2-pyrrolidone solvent molecule has an envelope conformation and is disordered around the mirror plane. The structure shows hydrogen-bonded ladders of molecules [graph-set notation C22(6)R22(12)] in the [010] direction. The benzene groups of adjacent ladders are also stacked in this direction. A different type of hydrogen-bonded ladder [graph-set notation C(6)R22(4)R44(12)] occurs in (Ic). In (Ia), (Ib) and (Ic), the molecules correspond to the zwitterionic tautomer. The structure of the cocrystal of 4-aminobenzenesulfonic acid with 1,4-bis(4,5-dihydroimidazol-2-yl)benzene [Shang, Ren, Wang, Lu & Yang (2009). Acta Cryst. E65, o2221-o2222] is corrected; it actually contains 4-aminobenzenesulfonate anions and 2,2'-(1,4-phenylene)di(dihydroimidazolium) dications, i.e. 2,2'-(1,4-phenylene)di(4,5-dihydroimidazolium) bis(4-aminobenzenesulfonate) dihydrate, C12H16N42+·2C6H6NO3S-·2H2O. Hence, all known structures of aminobenzenesulfonic acid complexes contain ionic or zwitterionic molecules; there is no known structure with a neutral aminobenzenesulfonic acid molecule.
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In the crystal structure of the title compound, C16H19N2+·C8H10NO3S−·H2O, the cations and anions are linked by O—H
O and N—H
O hydrogen bonds, forming alternating layers parallel to the ac plane. An intramolecular N—H
O hydrogen bond occurs in the anion. The crystal structure is further stabilized by π–π interactions, with centroid–centroid distances of 3.7240 (9) and 3.6803 (8) Å.
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The asymmetric unit of the title salt, C16H19N2+. C6H4NO5S−, consists of two cations and two anions. The crystal structure is stabilized by π–π interactions between the pyridyl and phenyl rings of the cations, with a centroid–centroid distance of 3.7323 (6) Å.
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The two title proton-transfer compounds, 5-methylimidazolium 3-carboxy-4-hydroxybenzenesulfonate, C4H7N2+·C7H5O6S−, (I), and bis(5-methylimidazolium) 3-carboxylato-4-hydroxybenzenesulfonate, 2C4H7N2+·C7H5O6S2−, (II), are each organized into a three-dimensional network by a combination of X—H
O (X = O, N or C) hydrogen bonds, and π–π and C—H
π interactions.
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There are two unique cations and anions in the asymmetric unit of the title molecular salt, C10H15NH3+·C7H7O3S−. In the crystal, all three hydrogen-bond donors of the protonated amine group make hydrogen-bond interactions with sulfonate O-atom acceptors, linking the cations and anions into chains parallel to the a axis. C—H
π interactions are also present.
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