scholarly journals 1,3-Bis(3-tert-butyl-2-hydroxy-5-methoxybenzyl)hexahydropyrimidin-5-ol monohydrate

2014 ◽  
Vol 70 (6) ◽  
pp. o687-o688 ◽  
Author(s):  
Augusto Rivera ◽  
Ingrid Miranda-Carvajal ◽  
Héctor Jairo Osorio ◽  
Jaime Ríos-Motta ◽  
Michael Bolte
Keyword(s):  
Hydrogen Bonds ◽  
Heterocyclic System ◽  
Chair Conformation ◽  
Heterocyclic Ring ◽  
Hydroxyl Group ◽  
Mirror Plane ◽  
Aromatic Rings ◽  
Central Ring ◽  
Compound C ◽  
The Mean

The asymmetric unit of the title compound, C28H42N2O5·H2O, consists of one half of the organic molecule and one half-molecule of water, both of which are located on a mirror plane which passes through the central C atoms and the hydroxyl group of the heterocyclic system. The hydroxyl group at the central ring is disordered over two equally occupied positions. The six-membered ring adopts a chair conformation, and the 2-hydroxybenzyl substituents occupy the sterically preferred equatorial positions. The aromatic rings make dihedral angles of 75.57 (9)° with the mean plane of the heterocyclic ring. The dihedral angle between the two aromatic rings is 19.18 (10)°. The molecular structure features two intramolecular phenolic O—H...N hydrogen bonds with graph-set motifS(6). In the crystal, molecules are connectedviaO—H...O hydrogen bonds into zigzag chains running along thea-axis direction.

scholarly journals Crystal structure of (9S,10S)-10-ethoxy-9-hydroxy-6,6,9-trimethyl-3-pentyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 4-methylbenzenesulfonate

2015 ◽  
Vol 71 (12) ◽  
pp. o1082-o1083 ◽  
Author(s):  
Waseem Gul ◽  
Ahmed Galal ◽  
Mahmoud A. ElSohly ◽  
Paulo Carvalho
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Chair Conformation ◽  
Heterocyclic Ring ◽  
Helical Chain ◽  
Aromatic Rings ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Methylene Group

In the structure of the title compound, C30H40O6S, the cyclohexene and heterocyclic rings are linked by a double bond. The cyclohexene ring has a half-chair conformation (the methylene group adjacent to the hydroxy substituent lies above the remaining atoms) and the hydroxy and ethoxy groups have equatorial and bisectional dispositions, respectively. The heterocyclic ring has an envelope conformation (with the CMe2C atom being the flap). The dihedral angle between the aromatic rings is 53.88 (10)°. A long intramolecular C—H...S interaction is noted. In the molecular packing, hydroxy-O—H...O(sulfonate) hydrogen bonds lead to a helical chain along [010]. Connections between chains are of the type methyl-C—H...O(sulfonate) and lead to supramolecular layers that lie parallel to (001). The studied crystal was an inversion twin.

scholarly journals Crystal structure of 1-tosyl-1,2,3,4-tetrahydroquinoline

2014 ◽  
Vol 70 (11) ◽  
pp. o1176-o1176 ◽  
Author(s):  
S. Jeyaseelan ◽  
K.V. Asha ◽  
G. Venkateshappa ◽  
P. Raghavendrakumar ◽  
B.S. Palakshamurthy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Bond Angle ◽  
Chair Conformation ◽  
Heterocyclic Ring ◽  
Aromatic Rings ◽  
Compound C

In the title compound, C16H17NO2S, the heterocyclic ring adopts a half-chair conformation and the bond-angle sum at the N atom is 350.2°. The dihedral angle between the planes of the aromatic rings is 47.74 (10)°. In the crystal, molecules are linked by C—H...O hydrogen bonds to generate [010] chains.

scholarly journals Crystal structure of 1-benzylsulfonyl-1,2,3,4-tetrahydroquinoline

2015 ◽  
Vol 71 (4) ◽  
pp. o249-o250 ◽  
Author(s):  
S. Jeyaseelan ◽  
B. R. Sowmya ◽  
G. Venkateshappa ◽  
P. Raghavendra Kumar ◽  
B. S. Palakshamurthy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Bond Angle ◽  
Chair Conformation ◽  
Heterocyclic Ring ◽  
Aromatic Rings ◽  
Compound C

In the title compound, C16H17NO2S, the heterocyclic ring adopts a half-chair conformation and the bond-angle sum at the N atom is 354.6°. The dihedral angle between the planes of the aromatic rings is 74.15 (10)°. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, generatingC(8) andC(4) chains propagating along [100] and [010], respectively, which together generate (001) sheets.

scholarly journals Crystal structure of (Z)-7,8-dichloro-4-(2-oxopropylidene)-4,5-dihydro-1H-1,5-benzodiazepin-2(3H)-one

2015 ◽  
Vol 71 (12) ◽  
pp. o1059-o1060
Author(s):  
Sanae Lahmidi ◽  
Abdelhanine Essaghouani ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Compound C ◽  
The Mean ◽  
Membered Heterocycle ◽  
Supramolecular Chains

In the title compound, C12H10Cl2N2O2, the seven-membered heterocycle displays a half-chair conformation. The mean plane through the oxopropylidene group makes a dihedral angle of 36.44 (9)° with the fused benzene ring. An intramolecular N—H...O hydrogen bond to close anS(6) loop is noted. An important feature of the molecular packing are N—H...O hydrogen bonds that lead to the formation of helical supramolecular chains along thebaxis.

scholarly journals Crystal structure of (E)-2-[(4-chloro-2H-chromen-3-yl)methylidene]-N-cyclohexylhydrazinecarbothioamide

2014 ◽  
Vol 70 (9) ◽  
pp. o1039-o1040 ◽  
Author(s):  
Rajeswari Gangadharan ◽  
Jebiti Haribabu ◽  
Ramasamy Karvembu ◽  
K. Sethusankar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Compound C ◽  
The Mean

In the title compound, C17H20ClN3OS, the mean plane of the central thiourea core makes dihedral angles of 26.56 (9) and 47.62 (12)° with the mean planes of the chromene moiety and the cyclohexyl ring, respectively. The cyclohexyl ring adopts a chair conformation. The N–H atoms of the thiourea unit adopt ananticonformation. The chromene group is positionedtrans, whereas the cyclohexyl ring lies in thecisposition to the thione S atom, with respect to the thiourea C—N bond. In the crystal, molecules are linked by N—H...S hydrogen bonds, forming inversion dimers enclosingR22(8) ring motifs. The dimers are linked by C—H...Cl hydrogen bonds, enclosingR66(44) ring motifs, forming sheets lying parallel to (010).

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 Crystal structure of (E)-2-({[2-(1,3-dioxan-2-yl)phenyl]imino}methyl)phenol

2015 ◽  
Vol 71 (5) ◽  
pp. o357-o358
Author(s):  
Zhengyi Li ◽  
Song Shi ◽  
Kun Zhou ◽  
Liang Chen ◽  
Xiaoqiang Sun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Condensation Reaction ◽  
Chair Conformation ◽  
Equatorial Position ◽  
Aromatic Rings ◽  
Bond Forming ◽  
Compound C ◽  
Ring Motif

The title compound, C17H17NO3, prepared by the condensation reaction of 2-(1,3-dioxan-2-yl)aniline and salicylaldehyde, has anEconformation about the C=N bond. The six-membered O-heterocycle adopts a chair conformation, with the bond to the aromatic ring located at its equatorial position. The dihedral angle between the aromatic rings is 36.54 (9)°. There is an intramolecular N—H...O hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming chains along thea-axis direction. Within the chains, there are C—H...π interactions involving adjacent molecules.

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 Crystal structure of 13-(2-methoxyphenyl)-3,4-dihydro-2H-indazolo[1,2-b]phthalazine-1,6,11(13H)-trione

2015 ◽  
Vol 71 (8) ◽  
pp. o604-o605 ◽  
Author(s):  
Abdelmalek Bouraiou ◽  
Sofiane Bouacida ◽  
Hocine Merazig ◽  
Aissa Chibani ◽  
Zouhair Bouaziz
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Centroid Distance ◽  
The Mean

In the title compound, C22H18N2O4, the three fused rings of the pyrazolophthalazine moiety are coplanar (r.m.s. deviation = 0.027 Å). The cyclohexene ring fused to the pyrazolidine ring, so forming the indazolophthalazine unit, has a half-chair conformation. The benzene ring is almost normal to the mean plane of the pyrazolophthalazine moiety, with a dihedral angle of 87.21 (6)° between their planes. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds forming inversion dimers. The dimers are linkedviaC—H...π interactions, forming slabs parallel to (100). Between the slabs there are weak π–π interactions [shortest inter-centroid distance = 3.6664 (9) Å], leading to the formation of a three-dimensional structure.

scholarly journals Crystal structure of 1-[(2S*,4R*)-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

2014 ◽  
Vol 70 (9) ◽  
pp. 153-156
Author(s):  
P. S. Pradeep ◽  
S. Naveen ◽  
M. N. Kumara ◽  
K. M. Mahadevan ◽  
N. K. Lokanath
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Bond Distance ◽  
Chair Conformation ◽  
Dimensional Structure ◽  
Pyrrolidine Ring ◽  
Charge Delocalization ◽  
Compound C ◽  
The Mean ◽  
Bond Character

In the title compound, C14H17FN2O, the 1,2,3,4-tetrahydropyridine ring of the quinoline moiety adopts a half-chair conformation, while the pyrrolidine ring has an envelope conformation with the central methylene C atom as the flap. The pyrrolidine ring lies in the equatorial plane and its mean plane is normal to the mean plane of the quinoline ring system, with a dihedral angle value of 88.37 (9)°. The bridging N—C bond distance [1.349 (3) Å] is substantially shorter than the sum of the covalent radii (dcov: C—N = 1.47 Å and C=N = 1.27 Å), which indicates partial double-bond character for this bond, resulting in a certain degree of charge delocalization. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds, forming sheets lying parallel to (10-1). These two-dimensional networks are linkedviaC—H...F hydrogen bonds and C—H...π interactions, forming a three-dimensional structure.

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