scholarly journals Crystal structure of 7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carboxylic acid

2015 ◽  
Vol 71 (2) ◽  
pp. o94-o94
Author(s):  
Noureddine Beghidja ◽  
Samir Benayache ◽  
Fadila Benayache ◽  
David W. Knight ◽  
Benson M. Kariuki
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Chair Conformation ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Carboxylic Groups

In the title compound, C15H22O2, both five-membered rings display an envelope conformation whereas the six-membered ring displays a chair conformation. In the crystal, pairs of O—H...O hydrogen bonds between carboxylic groups link molecules, related by a twofold rotation axis, into supramolecular dimers.

scholarly journals Crystal structure of tetraethyl 27,30-dioxo-7,12,20,25-tetra-tert-butyl-3,16-dioxa-9,22,28,31-tetrathiaheptacyclo[21.3.1.11,5.14,8.110,14.114,18.117,21]dotriaconta-4,6,8(29),10,12,17,19,21(32),23,25-decaene-2,2,15,15-tetracarboxylate

2015 ◽  
Vol 71 (10) ◽  
pp. o778-o779
Author(s):  
Mehmet Akkurt ◽  
Jerry P. Jasinski ◽  
Shaaban K. Mohamed ◽  
Omran A. Omran ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Tert Butyl ◽  
Envelope Conformation ◽  
Compound C ◽  
A Chain

The asymmetric unit of the title compound, C54H64O12S4, consists of one half of the molecule, which is located on an inversion centre. The heterocyclic six-membered ring adopts a distorted envelope conformation with the spiro C atom as the flap. In the crystal, molecules are linked by weak C—H...O hydrogen bonds with anR22(14) motif, forming a chain along theb-axis direction.

scholarly journals Crystal structure of 2-amino-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2015 ◽  
Vol 71 (11) ◽  
pp. o807-o808
Author(s):  
K. Chandra Kumar ◽  
V. Umesh ◽  
T. K. Madhura ◽  
B. M. Rajesh ◽  
Chandra
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Chair Conformation ◽  
Ring System ◽  
Membered Ring ◽  
Compound C

In the title compound, C15H15FN2OS, the dihedral angle between the planes of the benzothiophene ring system and the fluorobenzene ring is 3.74 (14)°. The six-membered ring of the benzothiophene moiety adopts a half-chair conformation. The molecular conformation is consolidated by intramolecular N—H...F and N—H...O hydrogen bonds. In the crystal, molecules are linked by N—H...O hydrogen bonds, generatingC(6) [001] chains.

scholarly journals 4-Benzyloxy-1-oxaspiro[4.6]undec-3-en-2-one

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Jose H. Quintana Mendoza ◽  
J. A. Henao ◽  
Elvis Robles Marin ◽  
Juan Manuel Urbina Gonzalez
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Chair Conformation ◽  
Membered Ring ◽  
Compound C

The title compound, C17H20O3, the cycloheptane ring adopts a slightly distorted chair conformation. The planar five-membered ring is inclined at 57.13 (11)° to the phenyl ring of the benzyloxy substituent. In the crystal structure, C—H...O and C—H...π hydrogen bonds generate layers in the ac plane.

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.

(3aR,4R,4aS,9aR)-4-Hydroxyperhydrofuro[2,3-f]indolizin-7(2H)-one

2007 ◽  
Vol 63 (3) ◽  
pp. o1452-o1454 ◽  
Author(s):  
Ľubomír Švorc ◽  
Viktor Vrábel ◽  
Jozef Kožíšek ◽  
Štefan Marchalín ◽  
Jozefína Žúžiová
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Membered Ring ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C

In the title compound, C10H15NO3, the central six-membered ring has a chair conformation. The conformations of the fused furan and oxopyrrolidine rings are close to envelopes. Molecules form chains parallel to the a axis via O—H...O intermolecular hydrogen bonds, which help to stabilize the crystal structure.

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 Crystal structure of (1R,3S,8R,11R)-11-acetyl-3,7,7-trimethyl-10-oxatricyclo[6.4.0.01,3]dodecan-9-one

2015 ◽  
Vol 71 (12) ◽  
pp. o1013-o1014
Author(s):  
Abdoullah Bismoussa ◽  
My Youssef Ait Itto ◽  
Jean-Claude Daran ◽  
Abdelwahed Auhmani ◽  
Aziz Auhmani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Membered Ring ◽  
Boat Conformation ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
A Minor

The title compound, C16H24O3, is built up from three fused rings, a six-membered, a seven-membered and a three-membered ring. The absolute configuration of the title compound was determined as (1R,3S,8R,11R) based on the synthetic pathway. The six-membered ring has an half-chair conformation whereas the seven-membered ring displays a boat conformation. In the cyrstal, C—H...O hydrogen bonds build up a two-dimensional network parallel to (0 0 1). The crystal studied was an inversion twin with a minor twin component of 34%.

scholarly journals Crystal structure of 2-hydroxy-2-(2-oxocycloheptyl)-2,3-dihydro-1H-indene-1,3-dione

2015 ◽  
Vol 71 (10) ◽  
pp. o715-o716
Author(s):  
P. Kaleel Ahamed ◽  
N. Srinivasan ◽  
R. Ranjith Kumar ◽  
R. V. Krishnakumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Membered Ring ◽  
Supramolecular Architecture ◽  
Compound C ◽  
Twist Conformation ◽  
Centroid Distance

In the title compound, C16H16O4, the five-membered ring of the indene-1,3-dione unit adopts a twist conformation, whereas the seven-membered ring adopts a twist–chair conformation. In the crystal, molecules are linked by O—H...O hydrogen bonds, weak C—H...O hydrogen bonds and π–π stacking [centroid-to-centroid distance = 3.7373 (8) Å] into a three-dimensional supramolecular architecture.

scholarly journals 4-Phenyl-2,5,5a,6,7,8,9,9a-hexahydro-1H-1,5-benzodiazepine-2-thione ethanol monosolvate

IUCrData ◽  
2018 ◽  
Vol 3 (9) ◽  
Author(s):  
Wedad Al Garadi ◽  
Youssef Ramli ◽  
Lhoussaine El Ghayati ◽  
Mohamed El Hafi ◽  
Ahmed Moussaif ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Oxygen Atom ◽  
Title Compound ◽  
Solvent Molecule ◽  
Chair Conformation ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C

In the solvated title compound, C15H18N2S·C2H5OH, the seven-membered ring has a twisted envelope conformation and the cyclohexyl ring has a chair conformation. In the crystal, N—H...O and O—H...S hydrogen bonds as well as C—H...π(ring) interactions form helical chains in which the thione and solvent ethanol molecules alternate. These chains are formed into layers parallel to (101) by inversion-related pairs of N—H...S hydrogen bonds. The ethanol solvent molecule is disordered over two sets of sites [occupancy ratio 0.880 (8): 0.120 (8)] with the oxygen atom in common.

scholarly journals 2′-Methylpyrazolo[4′,3′:16,17]androst-5-en-3β-ol

2009 ◽  
Vol 65 (6) ◽  
pp. o1436-o1436
Author(s):  
Hu-ling Zheng ◽  
Peng Xia ◽  
Ying Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Chair Conformation ◽  
Envelope Conformation ◽  
Compound C ◽  
The Absolute ◽  
Absolute Structure

In the title compound, C21H30N2O, there are five fused rings. TheAandCrings adopt chair conformations, ringBadopts an 8β,9α-half-chair conformation and ringDadopts a 14α-envelope conformation. The pyrazole ring is planar. Intermolecular O—H...N hydrogen bonds [H...N = 1.88 (5) Å] help to stabilize the crystal structure. The absolute structure was deduced from those of the starting materials.

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