scholarly journals Crystal structure of ethyl (E)-4-(4-chlorophenyl)-4-methoxy-2-oxobut-3-enoate

2014 ◽  
Vol 70 (9) ◽  
pp. o1025-o1025
Author(s):  
Darlene Correia Flores ◽  
Juliano Rosa de Menezes Vicenti ◽  
Bruna Ávila Pereira ◽  
Gabriele Marques Dias da Silva ◽  
Priscilla Jussiane Zambiazi
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Ethyl Ester ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C ◽  
Supramolecular Layer ◽  
Benzene Carboxylate

In the title compound, C13H13ClO4, the dihedral angle between the chlorobenezene ring and the least-squares plane through the 4-methoxy-2-oxobut-3-enoate ethyl ester residue (r.m.s. deviation = 0.0975 Å) is 54.10 (5)°. In the crystal, molecules are connected by methoxy–ketone and benzene–carboxylate carbonyl C—H...O interactions, generating a supramolecular layer in theacplane.

scholarly journals Crystal structure of 2-(3-nitrophenyl)-1,3-dithiane

2015 ◽  
Vol 71 (3) ◽  
pp. o181-o182 ◽  
Author(s):  
Ignez Caracelli ◽  
Julio Zukerman-Schpector ◽  
Hélio A. Stefani ◽  
Olga Gozhina ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Chair Conformation ◽  
Equatorial Position ◽  
Compound C

In the title compound, C10H11NO2S2, the 1,3-dithiane ring has a chair conformation with the 1,4-disposed C atoms being above and below the remaining four atoms. The nitrobenzene substituent occupies an equatorial position and forms a dihedral angle of 88.28 (5)° with the least-squares plane through the 1,3-dithiane ring. The nitro group is twisted out of the plane of the benzene ring to which it is connected, forming a dihedral angle of 10.12 (3)°. In the crystal, molecules aggregate into supramolecular zigzag chains (glide symmetry along thecaxis)vianitro–benzene N—O...π [N—O...Cg(benzene) = 3.4279 (18) Å and angle at O = 93.95 (11)°] interactions. The chains pack with no specific intermolecular interactions between them.

scholarly journals 5-Methylspiro[indoline-3,7′-[6H,7H,8H]pyrano[3,2-c:5,6-c′]di[1]benzopyran]-2,6′,8′-trione chloroform hemisolvate

2012 ◽  
Vol 68 (4) ◽  
pp. o1194-o1194
Author(s):  
Abdulrahman I. Almansour ◽  
Raju Suresh Kumar ◽  
Natarajan Arumugam ◽  
R. Vishnupriya ◽  
J. Suresh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyran Ring ◽  
Acta Cryst ◽  
Compound C ◽  
Supramolecular Layer

In the title compound, C27H15NO6·0.5CHCl3, the central pyran ring and both the benzopyran systems are planar, with the dihedral angle between the outer rings being 3.24 (6)°. The indolin-2-one system is in a perpendicular configuration with respect to the pyran ring [dihedral angle = 87.58 (2)°]. Supramolecular layers in theacplane are formed in the crystal structure whereby inversion-related molecules are connected by N—H...O hydrogen bonds. These are further linked by C—H...O interactions, forming a supramolecular layer in theacplane. Disordered CHCl3solvent in the structure was modelled with the SQUEEZE routine inPLATON[Spek (2009).Acta Cryst.D65, 148–155].

scholarly journals Crystal structure ofN,N′-[(thiophene-2,5-diyl)bis(methanylylidene)]di-p-toluidine

2015 ◽  
Vol 71 (6) ◽  
pp. o403-o403 ◽  
Author(s):  
Raina Boyle ◽  
Guy Crundwell ◽  
Neil M. Glagovich
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Rotation Axis ◽  
Condensation Reaction ◽  
Maximum Deviation ◽  
Compound C ◽  
Toluenesulfonic Acid

The title compound, C20H18N2S, was synthesized by the condensation reaction betweenp-toluidine and thiophene-2,5-dicarboxaldehye in refluxing toluene withp-toluenesulfonic acid added as catalyst. The molecule lies on a twofold rotation axis and adopts anEorientation with respect to the azomethine bonds. The dihedral angle between the unqiue benzene ring and the least-squares plane [maximum deviation = 0.0145 (14) Å] containing the azomethine and thiophene groups is 32.31 (6)°.

scholarly journals Crystal structure of 2-(3-bromophenyl)-1,3-dithiane

2015 ◽  
Vol 71 (3) ◽  
pp. o179-o180 ◽  
Author(s):  
Julio Zukerman-Schpector ◽  
Ignez Caracelli ◽  
Hélio A. Stefani ◽  
Olga Gozhina ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Mirror Symmetry ◽  
Chair Conformation ◽  
Equatorial Position ◽  
Compound C ◽  
First Approximation

In the title compound, C10H11BrS2, the 1,3-dithiane ring has a chair conformation with the 1,4-disposed C atoms being above and below the remaining four atoms. The bromobenzene ring occupies an equatorial position and forms a dihedral angle of 86.38 (12)° with the least-squares plane through the 1,3-dithiane ring. Thus, to a first approximation the molecule has mirror symmetry with the mirror containing the bromobenzene ring and the 1,4-disposed C atoms of the 1,3-dithiane ring. In the crystal, molecules associateviaweak methylene–bromobenzene C—H...π and π–π [Cg...Cg= 3.7770 (14) Å for centrosymmetrically related bromobenzene rings] interactions, forming supramolecular layers parallel to [10-1]; these stack with no specific intermolecular interactions between them.

scholarly journals Crystal structure of 4-(4-methoxyphenoxy)benzaldehyde

2015 ◽  
Vol 71 (12) ◽  
pp. o1021-o1021
Author(s):  
Andreas Schäfer ◽  
Ljuba Iovkova-Berends ◽  
Stefan Gilke ◽  
Paul Kossmann ◽  
Hans Preut ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Dihedral Angle ◽  
Title Compound ◽  
Nucleophilic Addition ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The title compound, C14H12O3, was synthesizedviathe nucleophilic addition of 4-methoxyphenol to 4-fluorobenzaldehyde. The dihedral angle between the least-squares planes of the benzene rings is 71.52 (3)° and the C—O—C angle at the central O atom is 118.82 (8)°. In the crystal, weak C—H...O hydrogen bonds link the molecules to generate supramolecular layers in thebcplane. The layers are linked by weak C—H...π interactions.

scholarly journals Crystal structure of 1-[(6-chloropyridin-3-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline

2015 ◽  
Vol 71 (6) ◽  
pp. 660-662
Author(s):  
S. Jeyaseelan ◽  
H. R. Rajegowda ◽  
R. Britto Dominic Rayan ◽  
P. Raghavendra Kumar ◽  
B. S. Palakshamurthy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Dihedral Angle ◽  
Title Compound ◽  
Bond Angle ◽  
Chair Conformation ◽  
Aromatic Rings ◽  
Compound C

The tetrahydropyridine ring of the quinoline system in the title compound, C14H13ClN2O2S, adopts a half-chair conformation with the bond-angle sum at the N atom being 350.0°. The dihedral angle between the least-squares planes of the two aromatic rings is 50.13 (11)°. In the crystal, inversion dimers linked by pairs of C—H...O hydrogen bonds generateR22(10) loops. Additional intermolecular C—H...O hydrogen bonds generateC(7) chains along [100].

scholarly journals Crystal structure of ethyl 6-chloromethyl-2-oxo-4-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2015 ◽  
Vol 71 (7) ◽  
pp. 821-823 ◽  
Author(s):  
M. Suresh ◽  
M. Syed Ali Padusha ◽  
J. Josephine Novina ◽  
G. Vasuki ◽  
Vijayan Viswanathan ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Ring Motif

In the title compound, C17H21ClN2O6, the dihydropyrimidine ring adopts a flattened envelope conformation, with thesp3-hybridized C atom forming the flap. The dihedral angle between the least-squares planes of the benzene and dihydropyrimidine rings is 88.09 (6)°. An intramolecular C—H...O hydrogen bond generates anS(6) ring. In the crystal, molecules are linkedviapairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(8) ring motif, and the dimers are linkedviafurther pairs of N—H...O hydrogen bonds, formingR22(14) rings and chains of molecules along [111]. Pairs of inversion-related chains are linkedviaweak C—H...π interactions.

scholarly journals Crystal structure of ethyl 2-{2-[(1Z)-1-hydroxy-3-(4-nitrophenyl)-3-oxoprop-1-en-1-yl]phenoxy}acetate

2015 ◽  
Vol 71 (12) ◽  
pp. o917-o918 ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Eman A. Ahmed ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C

The title compound, C19H17NO7, crystallized in a ratio of about 6:4 of the two possible keto–enol forms. This was observed as disorder over the central C3H2O2unit. The dihedral angle between the rings is 8.2 (2)°.The molecules pack by C—H...O interactions in a layered fashion parallel to (-104).

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.

4-(Acetylaminomethyl)-1-methylpyridinium iodide

2007 ◽  
Vol 63 (11) ◽  
pp. o4278-o4278
Author(s):  
Alexandra M. Z. Slawin ◽  
William T. A. Harrison
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C ◽  
Acetyl Group

In the title compound, C9H13N2O+·I−, the dihedral angle between the aromatic ring and the N-acetyl group is 73.93 (8)°. In the crystal structure, the cation and anion interact by way of an N—H...I hydrogen bond.

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