scholarly journals Crystal structure of N-allyl-4-methylbenzenesulfonamide

2018 ◽  
Vol 74 (8) ◽  
pp. 1126-1129 ◽  
Author(s):  
Zeel S. Patel ◽  
Amanda C. Stevens ◽  
Erin C. Bookout ◽  
Richard J. Staples ◽  
Shannon M. Biros ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nucleophilic Substitution ◽  
Torsion Angle ◽  
Title Compound ◽  
Substitution Reaction ◽  
Bond Lengths ◽  
Compound C ◽  
Allyl Amine ◽  
Centrosymmetric Dimers

The title compound, C10H13NO2S, was synthesized by a nucleophilic substitution reaction between allyl amine and p-toluenesulfonyl chloride. The sulfonate S—O bond lengths are 1.4282 (17) and 1.4353 (17) Å, and the C—N—S—C torsion angle involving the sulfonamide moiety is −61.0 (2)°. In the crystal, centrosymmetric dimers of the title compound are present via intermolecular N—H...O hydrogen bonds between sulfonamide groups. These dimers are linked into ribbons along the c-axis direction through offset π–π interactions.

scholarly journals Crystal structure of 3,5-dimethylphenyl 2-nitrobenzenesulfonate

2015 ◽  
Vol 71 (9) ◽  
pp. 1045-1047 ◽  
Author(s):  
Tsvetelina P. Atanasova ◽  
Sean Riley ◽  
Shannon M. Biros ◽  
Richard J. Staples ◽  
Felix N. Ngassa
Keyword(s):  
Crystal Structure ◽  
Nucleophilic Substitution ◽  
Torsion Angle ◽  
Title Compound ◽  
Substitution Reaction ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Compound C ◽  
Centroid Distance ◽  
Centrosymmetric Dimers

The title compound, C14H13NO5S, was synthesizedviaa nucleophilic substitution reaction between 3,5-dimethylphenol and 2-nitrobenzenesulfonyl chloride. The aromatic rings attached to the SO3group are oriented in agauchefashion around the ester S—O bond, with a C—S—O—C torsion angle of 84.68 (11)°. The molecules form centrosymmetric dimersviaπ–π stacking interactions between 3,5-dimethylphenyl groups (centroid–centroid distance = 3.709 Å). An intermolecular S=O...N interaction between the sulfonyl and nitro groups, with an O...N distance of 2.9840 (18) Å, organizes the dimers into columns extending along [011]. These columns are further assembled into (111) layers through C—H...O interactions.

scholarly journals Crystal structure of 2,4-dinitrophenyl 4-methylbenzenesulfonate: a new polymorph

2015 ◽  
Vol 71 (9) ◽  
pp. 1085-1088 ◽  
Author(s):  
Tyler A. Cooley ◽  
Sean Riley ◽  
Shannon M. Biros ◽  
Richard J. Staples ◽  
Felix N. Ngassa
Keyword(s):  
Crystal Structure ◽  
Nucleophilic Substitution ◽  
Torsion Angle ◽  
Title Compound ◽  
Substitution Reaction ◽  
Sulfonate Group ◽  
Acta Cryst ◽  
Crystal Stability ◽  
Compound C ◽  
Centroid Distance

The title compound, C13H10N2O7S, was synthesizedviaa nucleophilic substitution reaction between 2,4-dinitrophenol andp-toluenesulfonyl chloride. This crystal structure is a polymorph of CSD entry WUVYUH [Vembuet al.(2003).Acta Cryst, E59, o378–380]. The aromatic substituents on the sulfonate group are orientedgaucheto one another with a C—O—S—C torsion angle of −62.0 (3)°. The supramolecular features that contribute to the crystal stability are offset π–π [centroid–centroid distance = 3.729 (2) Å] and multiple C—H...O interactions.

scholarly journals Crystal structure of phenyl 2,4,5-trichlorobenzenesulfonate

2016 ◽  
Vol 72 (6) ◽  
pp. 789-792 ◽  
Author(s):  
Sean Riley ◽  
Richard J. Staples ◽  
Shannon M. Biros ◽  
Felix N. Ngassa
Keyword(s):  
Crystal Structure ◽  
Nucleophilic Substitution ◽  
Torsion Angle ◽  
Title Compound ◽  
Substitution Reaction ◽  
Nucleophilic Substitution Reaction ◽  
Π Interactions ◽  
Compound C

The title compound, C12H7Cl3O3S, was synthesizedviaa nucleophilic substitution reaction between phenol and 2,4,5-trichlorobenzenesulfonyl chloride. The two aryl rings are orientedgaucheto one another around the sulfonate S—O bond, with a C—S—O—C torsion angle of −70.68 (16)°, and the two rings are inclined to one another by 72.40 (7)°. In the crystal, molecules are linkedviavarious C—Cl...π interactions, forming ribbons propagating along [100]. Neighboring ribbons are linked by a weak C—Cl...π interaction, forming layers parallel to (010).

scholarly journals N-(5-Chloro-1,3-thiazol-2-yl)-2,4-difluorobenzamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1857-o1857 ◽  
Author(s):  
Xi-Wang Liu ◽  
Jian-Yong Li ◽  
Han Zhang ◽  
Ya-Jun Yang ◽  
Ji-Yu Zhang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Benzoyl Chloride ◽  
Bond Lengths ◽  
Compound C

The title compound, C10H5ClF2N2OS, was obtained by linking an amino heterocycle and a substituted benzoyl chloride. The dihedral angle between the two rings is 41.2 (2)° and the equalization of the amide C—N bond lengths reveals the existence of conjugation between the benzene ring and the thiazole unit. In the crystal, pairs of N—H...N hydrogen bonds link molecules into inversion dimers. Non-classical C—H...F and C—H...O hydrogen bonds stabilize the crystal structure.

scholarly journals 2,6-Bis(4-methoxybenzylidene)cyclohexanone

2006 ◽  
Vol 62 (5) ◽  
pp. o1910-o1912 ◽  
Author(s):  
Ray J. Butcher ◽  
H. S. Yathirajan ◽  
B. K. Sarojini ◽  
B. Narayana ◽  
J. Indira
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Photon Absorption ◽  
Intermolecular Hydrogen Bonds ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Compound C ◽  
Centrosymmetric Dimers

The title compound, C22H22O3, demonstrates a two-photon absorption. Its metrical parameters are similar to those of related cyclohexanone derivatives. In the crystal structure, two sets of centrosymmetric dimers formed by weak C—H...O intermolecular hydrogen bonds combine to form molecular tapes along [101].

scholarly journals Crystal structure of zwitterionic 2-[bis(2-methoxyphenyl)phosphaniumyl]-4-methylbenzenesulfonate monohydrate dichloromethane monosolvate

2016 ◽  
Vol 72 (2) ◽  
pp. 229-232
Author(s):  
Hongyang Zhang ◽  
Ge Feng ◽  
Alexander S. Filatov ◽  
Richard F. Jordan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Water Molecules ◽  
Sulfonate Group ◽  
Centrosymmetric Dimer ◽  
Bond Lengths ◽  
Compound C

In the title compound, C21H21O5PS·H2O·CH2Cl2, the phosphonium–sulfonate zwitterion has the acidic H atom located on the P atom rather than the sulfonate group. The S—O bond lengths [1.4453 (15)–1.4521 (14) Å] are essentially equal. In the crystal, the water molecules bridge two zwitterionsviaOwater—H...Osulfonatehydrogen bonds into a centrosymmetric dimer. The dimers are further linked by weak CAryl—H...Osulfonatehydrogen bonds into chains extending along [100]. The PH+group is not involved in intermolecular interactions.

scholarly journals Crystal structure of 3-amino-2-ethylquinazolin-4(3H)-one

2015 ◽  
Vol 71 (9) ◽  
pp. o650-o651
Author(s):  
Gamal A. El-Hiti ◽  
Keith Smith ◽  
Amany S. Hegazy ◽  
Mohammed Baashen ◽  
Benson M. Kariuki
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Ethyl Group ◽  
Π Interactions ◽  
Step Structure ◽  
Compound C ◽  
Centroid Distance

The molecule of the title compound, C10H11N3O, is planar, including the ethyl group, as indicated by the N—C—C—C torsion angle of 1.5 (2)°. In the crystal, inversion-related molecules are stacked along theaaxis. Molecules are oriented head-to-tail and display π–π interactions with a centroid-to-centroid distance of 3.6664 (8) Å. N—H...O hydrogen bonds between molecules generate a `step' structure through formation of anR22(10) ring.

scholarly journals Crystal structure ofO-ethylN-(ethoxycarbonyl)thiocarbamate

2015 ◽  
Vol 71 (10) ◽  
pp. o782-o783 ◽  
Author(s):  
Matthew J. Henley ◽  
Alex M. Schrader ◽  
Victor G. Young ◽  
George Barany
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Compound C ◽  
The One ◽  
Related Compounds ◽  
Centrosymmetric Dimers

The title compound, C6H11NO3S, provides entries to novel carbamoyl disulfanes and related compounds of interest to our laboratory. The atoms of the central O(C=S)N(C=O)O fragment have an r.m.s. deviation of 0.1077 Å from the respective least-squares plane. While several conformational orientations are conceivable, the crystal structure shows only the one in which the carbonyl and the thiocarbonyl moieties areantito each other across the central conjugated C—N—C moiety. Pairs of 2.54 Å N—H...S=C hydrogen bonds between adjacent molecules form centrosymmetric dimers in the crystal.

(E)-4-[3-Ethoxy-4-(2-phenoxyethoxy)benzylideneamino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one

2006 ◽  
Vol 62 (7) ◽  
pp. o2963-o2964
Author(s):  
Wen-Jun Zhang ◽  
Zhong-Yu Duan ◽  
Xin Zhao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Ring Plane ◽  
Compound C ◽  
Phenyl Rings ◽  
Centrosymmetric Dimers

The title compound, C28H29N3O4, was prepared by the reaction of 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one and 3-ethoxy-4-(2-phenoxyethoxy)benzaldehyde. The vanillin group makes dihedral angles of 73.08 (8) and 66.54 (6)° with the planes of the two terminal phenyl rings, and an angle of 30.49 (6)° with the pyrazolone ring plane. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonds that form centrosymmetric dimers.

scholarly journals Crystal structure of 2,2′-({[2-(tritylsulfanyl)benzyl]azanediyl}bis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)

2014 ◽  
Vol 70 (9) ◽  
pp. o895-o896
Author(s):  
Ulrich Flörke ◽  
Adam Neuba ◽  
Jochen Ortmeyer ◽  
Gerald Henkel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Bond Lengths ◽  
Compound C

In the structure of the title compound, C46H37N3O4S, the planes of the two isoindoline units make a dihedral angle of 77.86 (3)°. The dihedral angles between the benzyl plane and the isoindoline units are 79.56 (4) and 3.74 (9)°. The geometry at the S atom shows a short [1.7748 (17) Å] S—Cbenzyland a long [1.8820 (15) Å] S—Ctritylbond and the C—S—C angle is 108.40 (7)°. N—C bond lengths around the azane N atom are in the range 1.454 (2)–1.463 (2) Å. he crystal packing exhibts two rather `non-classical' C—H...O hydrogen bonds that result in stacking of the molecules along theaas well as thebaxis and give rise to columnar sub-structures.

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