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 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 (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 1,2-O-Isopropylidene-β-D-lyxo-furanose

IUCrData ◽  
2020 ◽  
Vol 5 (12) ◽  
Author(s):  
Bogdan Doboszewski ◽  
Alexander Y. Nazarenko
Keyword(s):  
Hydrogen Bonds ◽  
Oxygen Atom ◽  
Title Compound ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Infinite Network ◽  
Hydroxy Groups

In the title compound C8H14O5, the pentofuranose five-membered ring has a twisted conformation on two carbon atoms while the five-membered ring of the isopropylidene group has an envelope conformation on an oxygen atom. Hydroxy groups are involved an infinite network of O—H...O hydrogen bonds that leads to the formation of a layer parallel to the (001) plane. Only weak C—H...O contacts exist between neighboring layers.

scholarly journals 4,5,7-Trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)-1-[3-(2,4,5-trimethoxyphenyl)pentan-2-yl]indane acetone 0.858-solvate

2009 ◽  
Vol 65 (6) ◽  
pp. o1379-o1379
Author(s):  
Chang Liu ◽  
Guangyu Xu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Molecule ◽  
Membered Ring ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C

In the title compound, C36H48O9.0.858C3H6O, the five-membered ring adopts an envelope conformation. The acetone solvent molecule was disordered and was refined over two positions with equal occupancies, giving an overall occupancy of 0.858 (4). There are weak intramolecular C—H...O hydrogen bonds and intermolecular C—H...π interactions in the structure.

scholarly journals 14,15-Didehydrohellebrigenin

2012 ◽  
Vol 68 (6) ◽  
pp. o1614-o1615
Author(s):  
Tong Yu ◽  
Hai-Yan Tian ◽  
Xiao-Feng Yuan ◽  
Shu-Zhi Hu ◽  
Ren-Wang Jiang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Lactone Ring ◽  
Three Dimensional ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Dimensional Network ◽  
Hydroxy Groups

The title compound, C24H30O5, is the didehydro product of the steroid hellebrigenin (systematic name: 3β,5,14-trihydroxy-19-oxo-5β-bufa-20,22-dienolide). It consists of three cyclohexane rings (A, B and C), a five-membered ring (D) and a six-membered lactone ring (E). The stereochemistry of the ring junctions are A/B cis, B/C trans and C/D cis. Cyclohexane rings A, B and C have normal chair conformations. The five-membered ring D with the C=C bond adopts an envelope conformation. Lactone ring E is essentially planar with a mean derivation of 0.006 (4) Å and is β-oriented at the C atom of ring D to which it is attached. There is an O—H...O hydrogen bond in the molecule involving the hydroxy groups. In the crystal, O—H...O hydrogen bonds link the molecules into chains propagating along [010]. The chains are linked by C—H...O contacts into a three-dimensional network.

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.

tert-Butyl 3-endo-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

2006 ◽  
Vol 62 (4) ◽  
pp. o1233-o1234
Author(s):  
Shuang-Wei Chen ◽  
Cai-Hong Xu ◽  
Guo-Rong Zheng ◽  
Xu-Hu Jin
Keyword(s):  
Dopamine Transporter ◽  
Title Compound ◽  
Chair Conformation ◽  
Membered Ring ◽  
Hydroxyl Group ◽  
Tert Butyl ◽  
Envelope Conformation ◽  
Compound C ◽  
Important Intermediate

The title compound, C12H21NO3, is an important intermediate for new dopamine transporter inhibitors. The six-membered ring of the azabicyclo[3.2.1]octane system adopts a chair conformation with the hydroxyl group axial. The fused five-membered ring is in an envelope conformation.

scholarly journals (7R,8S,8aS)-8-Hydroxy-7-phenylperhydroindolizin-3-one

2009 ◽  
Vol 65 (6) ◽  
pp. o1368-o1369
Author(s):  
Ľubomír Švorc ◽  
Viktor Vrábel ◽  
Štefan Marchalín ◽  
Peter Šafář ◽  
Jozef Kožíšek
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Membered Ring ◽  
Molecular Configuration ◽  
Compound C ◽  
The Absolute

In the title compound, C14H17NO2, the six-membered ring of the indolizine system adopts a chair conformation. In the crystal, molecules form chains parallel to thebaxisviaintermolecular O—H...O hydrogen bonds. The absolute molecular configuration was assigned from the synthesis.

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.

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