scholarly journals N-[(3aR*,3bS*)-1,3b,7,7-Tetramethyl-3a,3b,4,5,6,7,7a,7b-octahydro-3H-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Mustapha Ait Elhad ◽  
Ahmed Benharref ◽  
Lahcen El Ammari ◽  
Mohamed Saadi ◽  
Abdelouahd Oukhrib ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Compound C ◽  
The Mean ◽  
Cyclobutane Ring ◽  
Cyclopentene Ring

The title compound, C17H27NO, is built up from a four-membered ring to which a six- and a five-membered ring are fused. The cyclohexane ring has a chair conformation, while the cyclopentene ring has an envelope conformation, with the C atom substituted by the acetamide group as the flap. The dihedral angles between the mean plane of the central cyclobutane ring and the mean planes of the cyclopentene and cyclohexane rings are 62.52 (2) and 61.06 (11)°, respectively. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains propagating along theb-axis direction.

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).

scholarly journals 1-(4-Bromobenzyl)-2-(4-bromophenyl)-1H-benzimidazole

2014 ◽  
Vol 70 (5) ◽  
pp. o610-o611
Author(s):  
Hua-Jun Ma ◽  
Zhi-Rong Qu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
The Mean ◽  
Benzimidazole Group

There are two molecules in the asymmetric unit of the title compound, C20H14Br2N2. In the first, the dihedral angles between the mean plane of the benzimidazole group and those of the 4-bromobenzyl and 4-chlorophenyl groups are 50.72 (17) and 71.29 (16)°, respectively, while the corresponding angles in the second molecule are 42.09 (16) and 89.05 (17)°. The 4-bromobenzyl and 4-bromophenyl groups make an angle of 68.1 (2) and 85.1 (21)° with each other in the two molecules. In the crystal, weak C—H...N and C—H...Br hydrogen bonds link the molecules along thec-axis direction. Br...Br interactions [3.5733 (9)Å] are also observed.

scholarly journals 2,4-Dichloro-N-{[1-(2,4-dichlorobenzoyl)piperidin-4-yl]methyl}benzamide

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
S. Gomathi ◽  
D. Reuben Jonathan ◽  
E. R. A. Dravida Thendral ◽  
B. K. Revathi ◽  
G. Usha
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C20H18Cl4N2O2, the piperdine ring adopts a chair conformation. The dihedral angles between its mean plane and the two benzene rings are 45.5 (3) and 28.0 (3)°, while the benzene rings are inclined to one another by 54.5 (3)°. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along thea-axis direction. Neighbouring chains are linked by C—H...π interactions, forming double-stranded chains along [100].

scholarly journals 1-Deacetoxy-1-oxocaesalmin

2014 ◽  
Vol 70 (6) ◽  
pp. o662-o662
Author(s):  
Juan Feng ◽  
Jian-Long Zhang ◽  
Rong-Rong Zhang ◽  
Li-Jun Ruan ◽  
Ren-Wang Jiang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Furan Ring ◽  
Chair Conformation ◽  
Chain Structure ◽  
Membered Ring ◽  
Axis Direction ◽  
Compound C ◽  
A Chain

The title compound, C24H30O7, is a diterpenoid isolated from the seeds ofCaesalpinia minax. It consists of two cyclohexane rings (AandB), one unsaturated six-membered ring (C) and one furan ring (D). The stereochemistry of the ring junctures isA/B transandB/C trans. RingsAandBhave normal chair conformations whileCadopts a twisted half-chair conformation due to fusion to the furan ring which is planar [r.m.s. deviation = 0.0009 (2) Å]. In the crystal, hydroxyl O—H...Ocarbonylhydrogen bonds link the molecules into a chain structure extending along thea-axis direction.

scholarly journals N-[(1-Benzoylpiperidin-4-yl)methyl]benzamide

2014 ◽  
Vol 70 (7) ◽  
pp. o771-o771 ◽  
Author(s):  
K. Prathebha ◽  
D. Reuben Jonathan ◽  
Sathya Shanmugam ◽  
G. Usha
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Dihedral Angles ◽  
Supramolecular Network ◽  
Compound C ◽  
Phenyl Rings ◽  
The Mean

In the title compound, C20H22N2O2, the piperidine ring adopts a chair conformation. The phenyl rings are inclined to one another by 80.1 (1)° and make dihedral angles of 46.1 (1) and 40.2 (1)° with the mean plane of the piperidine ring. In the crystal, pairs of N—H...O hydrogen bonds link the molecules into inversion dimers. C—H...O interactions further link the molecules, forming a three-dimensional supramolecular network.

scholarly journals 1-(Pyridin-2-yl)-2,4-bis[(pyridin-2-yl)carbonyl]-3,5-bis(3,4,5-trimethoxyphenyl)cyclohexanol 2.25-hydrate

IUCrData ◽  
2017 ◽  
Vol 2 (11) ◽  
Author(s):  
Era Dravida Thendral ◽  
S. Gomathi ◽  
U. Mohamooda Sumaya ◽  
K. Biruntha ◽  
G. Usha
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Compound C ◽  
Methoxy Groups ◽  
The Mean

In the title compound, C41H41N3O9·2.25H2O, the cyclohexanol ring adopts a chair conformation. The cyclohexanol ring makes dihedral angles of 87.89 (7) and 75.53 (8)° with the mean planes of the trimethoxyphenyl rings and dihedral angles of 84.18 (8), 85.07 (7) and 82.03 (8)° with the pyridine rings. In the crystal, the packing is stabilized by C—H...O, O—H...O and O—H...N hydrogen bonds involving water molecules and methoxy O atoms, resulting in a supramolecular network. One of the methoxy groups is disordered over two sets of sites with occupancy factors of 0.63 (3) and 0.37 (3).

scholarly journals (3aR,6R)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Abdellah N'Ait Ousidi ◽  
My Youssef Ait Itto ◽  
Aziz Auhmani ◽  
Abdelkhalek Riahi ◽  
Sylviane Chevreux ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Acidic Medium ◽  
Chair Conformation ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

The title compound, C11H19N3S, was prepared by the reaction of (R)-pulegone with thiosemicarbazide in acidic medium, using ethanol as solvent. The molecule is built up from fused six and five-membered rings. The six-membered ring adopts a chair conformation, while the five-membered ring displays an envelope conformation with the dimethyl-substituted C atom as the flap. The dihedral angle between the mean planes of the two rings is 20.35 (6)°. In the crystal, molecules are linked by N—H...N and N—H...S hydrogen bonds into chains running parallel to [100].

scholarly journals (−)-Benzyl 2,3-dideoxy-β-D-erythro-hex-2-enopyranoside

2013 ◽  
Vol 69 (12) ◽  
pp. o1811-o1811 ◽  
Author(s):  
Shigeru Ohba ◽  
Hayato Okazaki ◽  
Yuji Ueda ◽  
Kengo Hanaya ◽  
Mitsuru Shoji ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Site Occupancy ◽  
Phenyl Group ◽  
Chair Conformation ◽  
Membered Ring ◽  
Axis Direction ◽  
Sugar Moiety ◽  
Compound C ◽  
Common Plane

In the title compound, C13H16O4, the six-membered ring of the sugar moiety shows a half-chair conformation. In the crystal, molecules are connectedviaO—H...O hydrogen bonds, forming columns around twofold screw axes along theb-axis direction. There is a disorder of the benzyloxy group, which has two possible orientations with the phenyl group lying on a common plane [site-occupancy factors = 0.589 (9) and 0.411 (9)].

scholarly journals 1-Acetyl-5-(4-fluorophenyl)-2-sulfanylideneimidazolidin-4-one

2013 ◽  
Vol 69 (11) ◽  
pp. o1699-o1699
Author(s):  
Soh-ichi Kitoh ◽  
Yijing Feng ◽  
Shuhei Fujinami ◽  
Masaki Ichitani ◽  
Mitsunori Honda ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Axis Direction ◽  
Compound C ◽  
Acetyl Group ◽  
The Mean

In the title compound, C11H9FN2O2S, the 2-sulfanylideneimidazolidin-4-one moiety is essentially planar, with a maximum deviation of 0.0183 (14) Å. The mean plane of this moiety is approximately coplanar with the attached acetyl group and perpendicular to the benzene ring, making dihedral angles of 9.70 (14) and 86.70 (6)°, respectively. In the crystal, molecules are linked by N—H...O hydrogen bonds between the amide NH and acetyl C=O groups, forming aC(6) chain along thea-axis direction.

scholarly journals 1-[(1R,2S,4R,7S)-3,3-Dichloro-4,11,11-trimethyltricyclo[5.4.0.02,4]undecan-7-yl]ethanone

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Ahmed Benharref ◽  
Lahcen El Ammari ◽  
Mohamed Saadi ◽  
Mustapha Ait Elhad ◽  
Abdelouahd Oukhrib ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Methyl Groups ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The title compound, C16H24Cl2O, crystallizes with two independent molecules in the asymmetric unit. Each molecule is built up from two fused six-membered rings, one of which is fused to a three-membered ring. The two molecules differ essentially in the orientation of two of the methyl groups. The dihedral angles between the mean planes through the two six-membered rings are 57.98 (13) and 55.29 (13)°. The molecular conformation is stabilized by intramolecular C—H...Cl hydrogen bonds.

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