scholarly journals 5-Bromo-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran

2014 ◽  
Vol 70 (3) ◽  
pp. o310-o310
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Compound C ◽  
Dimensional Network ◽  
Sulfinyl Group ◽  
Cyclohexyl Group

In the title compound, C17H21BrO2S, the cyclohexyl ring adopts a chair conformation and the arylsulfinyl unit is positioned equatorially relative to the cyclohexyl group. The benzofuran unit is essentially planar, with an r.m.s. deviation of 0.016 (2) Å. In the crystal, molecules are linked by weak C—H...O, C—H...π and Br...π [3.663 (2) Å] interactions, resulting in a three-dimensional network. A Br...Br [3.6838 (6) Å] contact is observed. The O atom of the sulfinyl group is disordered over two orientations with an occupancy ratio of 0.863 (5):0.137 (5).

scholarly journals 7′-Amino-1′H-spiro[cycloheptane-1,2′-pyrimido[4,5-d]pyrimidin]-4′(3′H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2546-o2546
Author(s):  
Shu Chen ◽  
Daxin Shi ◽  
Mingxing Liu ◽  
Jiarong Li
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Boat Conformation ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H17N5O, was obtained by cyclocondensation of 2,4-diaminopyrimidine-5-carbonitrile with cycloheptanone. The tetrahydropyrimidine ring has a distorted boat conformation and the cycloheptane ring adopts a chair conformation. In the crystal, molecules are linkedviaN—H...O and N—H...N hydrogen bonds generating a three-dimensional network.

rac-4-Methoxy-6-phenyl-5,6-dihydro-2-pyrone

2007 ◽  
Vol 63 (3) ◽  
pp. o1274-o1275
Author(s):  
C. A. De Simone ◽  
L. C. de Souza ◽  
D. de O. Imbroisi ◽  
J. F. T. Oliveira ◽  
M. A. Pereira
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Heterocyclic Ring ◽  
Compound C ◽  
Dimensional Network

In the title compound, C12H12O3, the heterocyclic ring adopts a half-chair conformation. C–H...O hydrogen bonds form a three-dimensional network.

scholarly journals 3-(3-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran

2014 ◽  
Vol 70 (3) ◽  
pp. o309-o309 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Interplanar Distance ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
The Mean

In the title compound, C21H21BrO2S, the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.178 (2) Å] of the benzofuran ring system and the mean plane of the 3-bromophenyl ring is 86.52 (6)°. In the crystal, molecules are linked by weak C—H...O and C—H...π hydrogen bonds, and by a slipped π–π interaction between the furan rings of neighbouring molecules [centroid–centroid distance = 3.518 (3) Å, interplanar distance = 3.471 (3) Å and slippage = 0.573 (3) Å], resulting in a three-dimensional network.

scholarly journals 4-[(5,5-Dimethyl-3-oxocyclohex-1-enyl)amino]benzenesulfonamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2370-o2370
Author(s):  
Mansour S. Al-Said ◽  
Mostafa M. Ghorab ◽  
Hazem A. Ghabbour ◽  
Ching Kheng Quah ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Dimensional Network

In the title compound, C14H18N2O3S, the cyclohexene ring exhibits a distorted half-chair conformation and its mean plane makes a dihedral angle of 46.18 (8)° with the benzene ring. In the crystal, molecules are linkedviaN—H...O, N—H...(O,O) and C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Ethyl 2-cyano-2-{(Z)-2-[2,2-dicyano-1-(4-methylphenyl)ethyl]cyclohexylidene}acetate

IUCrData ◽  
2021 ◽  
Vol 6 (5) ◽  
Author(s):  
S. Sivapriya ◽  
S. Priyanka ◽  
M. Gopalakrishnan ◽  
H. Manikandan ◽  
S. Selvanayagam
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Compound C ◽  
Dimensional Network

In the title compound, C22H23N3O2, the cyclohexane ring adopts a chair conformation. The methylphenyl ring is oriented at an angle of 36.2 (1)° with respect to the best plane of cyclohexane moiety. In the crystal, molecules associate via C—H...N hydrogen bonds, forming a three-dimensional network.

scholarly journals Ethyl 4-chloro-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylate

IUCrData ◽  
2019 ◽  
Vol 4 (1) ◽  
Author(s):  
Gibran Rodriguez-Vega ◽  
Gerardo Aguirre ◽  
Daniel Chávez
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network

In the title compound, C12H14ClNO3, the aliphatic ring of the hexahydroquinoline system adopts a half-chair conformation while the ethyl carboxylate substituent is inclined to the hexahydroquinoline ring system by 85.1 (2)°. In the crystal, a pair of N–H...O hydrogen bonds form an inversion dimer. The structure is further stabilized by C—H...O and C—H...Cl hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structure of 4-(prop-2-ynyloxy)-2,2,6,6-tetramethylpiperidin-1-oxyl

2014 ◽  
Vol 70 (9) ◽  
pp. 130-133 ◽  
Author(s):  
Shailesh K. Goswami ◽  
Lyall R. Hanton ◽  
C. John McAdam ◽  
Stephen C. Moratti ◽  
Jim Simpson
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Membered Ring ◽  
Equatorial Orientation ◽  
Propargyl Bromide ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H20NO2, was synthesized from 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-oxyl (hydroxy-TEMPO) and propargyl bromide. The six-membered ring adopts a flattened chair conformation and carries a propynyloxy substituent in an equatorial orientation at the 4-position. The N—O bond length of the piperidin-1-oxyl unit is 1.289 (3) Å. In the crystal, C—H...O hydrogen bonds combine with unusual C—H...π interactions involving the alkyne unit as acceptor to generate a three-dimensional network.

scholarly journals 8-Methyl-3-methylsulfanyl-8a,8b-dihydro-5H-1-oxa-2,4-diazaacenaphthylene

IUCrData ◽  
2021 ◽  
Vol 6 (6) ◽  
Author(s):  
Akoun Abou ◽  
Fanté Bamba ◽  
Jérôme Marrot ◽  
Soro Yaya ◽  
Jean-Marie Coustard
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Acute Angle ◽  
Dihedral Angles ◽  
Isoxazole Ring ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the tricyclic title compound, C11H12N2OS, the 2,3,4,5-tetrahydropyridine ring adopts a half-chair conformation. This ring makes dihedral angles of 27.72 (7) and 45.17 (7)°, respectively, with the isoxazole and the cyclohexa-1,3-diene rings while the isoxazole ring is oriented at an acute angle of 63.46 (7)° with respect to the cyclohexa-1,3-diene ring. In the crystal, molecules associate via C—H...N hydrogen bonds and C—H...π interactions, forming a three-dimensional network.

scholarly journals 2-[2-(4-Methylpiperazin-1-yl)ethyl]isoindoline-1,3-dione

2014 ◽  
Vol 70 (3) ◽  
pp. o287-o287
Author(s):  
Mi Zhou ◽  
Ying Shao ◽  
Yong-an Xia ◽  
Xiao-Long Liu ◽  
Xiao-Qiang Sun
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Ring System ◽  
Piperazine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H19N3O2, the piperazine ring adopts a chair conformation, with its N—C bonds in pseudo-equatorial orientations. The dihedral angle between the C atoms of the piperazine ring and the phthalamide ring system (r.m.s. deviaiton = 0.008 Å) is 89.30 (8)°. In the crystal, molecules are linked by C—H...O hydrogen bonds, generating a three-dimensional network and aromatic π–π interactions also occur [centroid–centroid distances = 3.556 (1)–3.716 (1) Å].

scholarly journals Crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butanoate

2014 ◽  
Vol 70 (9) ◽  
pp. o1063-o1064 ◽  
Author(s):  
Thammarse S. Yamuna ◽  
Jerry P. Jasinski ◽  
Manpreet Kaur ◽  
Brian J. Anderson ◽  
H.S. Yathirajan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Carboxylate Group ◽  
Piperazine Ring ◽  
Zwitterionic Form ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H18N4O2, crystallizes in the zwitterionic form with protonation at the N atom of the piperazine ring bearing the carboxylate group. The piperazine ring adopts a slightly distorted chair conformation. In the crystal, N—H...O hydrogen bonds are observed, forming chains along [010]. The packing is consolidated by C—H...O interactions, which generate a three-dimensional network.

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