scholarly journals Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester

2018 ◽  
Vol 74 (11) ◽  
pp. 1577-1579 ◽  
Author(s):  
Anatoly Mishnev ◽  
Egils Bisenieks ◽  
Ilona Mandrika ◽  
Ramona Petrovska ◽  
Zenta Kalme ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Metabolic Activity ◽  
Title Compound ◽  
Boat Conformation ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Dihydropyridine Ring

In the title compound, C25H25NO5S, which exhibits metabolism-regulating activity, the 1,4-dihydropyridine ring adopts a flattened boat conformation while the cyclohexenone ring is in an envelope conformation. Molecules in the crystal are assembled into C(6) chains along the a-axis direction via N—H...O hydrogen bonds. The thienyl fragment is disordered over two sets of sites in a 0.7220 (19):0.2780 (19) ratio.

scholarly journals Diethyl 4-(1H-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

IUCrData ◽  
2020 ◽  
Vol 5 (1) ◽  
Author(s):  
Miri Yoo ◽  
Dongsoo Koh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axial Orientation ◽  
Boat Conformation ◽  
Axis Direction ◽  
Compound C ◽  
Graph Set ◽  
Dihydropyridine Ring

In the title compound, C16H21N3O4, the 1,4-dihydropyridine ring adopts a flattened boat conformation, with the imidazole substituent in an axial orientation [dihedral angle between ring planes = 82.9 (6)°]. In the crystal structure, pairs of N—H...O and N—H...N hydrogen bonds with graph-set notation R 2 2(14) connect the molecules into chains running along the c-axis direction.

12-(4-Methoxyphenyl)-9,10-dihydrobenzo[b][4,7]phenanthrolin-11(7H,8H,12H)-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4245-o4245
Author(s):  
Xiaojing Zhang ◽  
Dianxiang Zhou ◽  
Shujiang Tu ◽  
Qingqing Shao ◽  
Chunmei Li
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Boat Conformation ◽  
Envelope Conformation ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Dihydropyridine Ring

In the molecule of the title compound, C23H20N2O2, the dihydropyridine ring has a boat conformation, while the cyclohexene ring adopts an envelope conformation. In the crystal structure there are intermolecular N—H...O hydrogen bonds.

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 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 3-C-(N-benzyloxycarbonyl)aminomethyl-3-deoxy-1,2:5,6-di-O-isopropylidene-α-D-allofuranose

2015 ◽  
Vol 71 (10) ◽  
pp. 1212-1215 ◽  
Author(s):  
Vitalijs Rjabovs ◽  
Dmitrijs Stepanovs ◽  
Maris Turks
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Carbamate Group

The title compound, C21H29NO7(1) [systematic name: benzyl ({(3aR,5S,6R,6aR)-5-[(R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl}methyl)carbamate], consists of a substituted 2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxolane skeleton. The furanose ring adopts an envelope conformation close toC3-exo, where the C atom substituted by the benzyl carbamate group is the flap. The fused dioxolane ring also adopts an envelope conformation, as does the terminal dioxolane ring, with in each case an O atom as the flap. In the crystal, molecules are linked by N—H...O and C–H...O hydrogen bonds, forming chains propagating along theb-axis direction.

scholarly journals Crystal structure of 9-(3-bromo-5-chloro-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione

2014 ◽  
Vol 70 (8) ◽  
pp. 44-47 ◽  
Author(s):  
Antar A. Abdelhamid ◽  
Shaaban K. Mohamed ◽  
Jim Simpson
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
Carbonyl Groups ◽  
Axis Direction ◽  
Compound C ◽  
Dihydropyridine Ring

The title compound C25H29BrClNO4, comprises a 3,3,6,6-tetramethyltetrahydroacridine-1,8-dione ring system that carries a hydroxyethyl substituent on the acridine N atom and a 3-bromo-5-chloro-2-hydroxyphenyl ring on the central methine C atom of the dihydropyridine ring. The benzene ring is inclined to the acridine ring system at an angle of 89.84 (6)° and this conformation is stabilized by an intramolecular O—H...O hydrogen bond between the hydroxy substituent on the benzene ring and one of the carbonyl groups of the acridinedione unit. In the crystal, O—H...O, C—H...O and C—H...Br hydrogen bonds combine to stack molecules in interconnected columns propagating along thea-axis direction.

scholarly journals Crystal structure of 2-isopropyl-5,7′-dimethyl-1′,3′,3a',6′,8a',8b'-hexahydrospiro[cyclohexane-1,6′-furo[3,4-d]imidazo[1,5-b]isoxazol]-8′(7′H)-one

2016 ◽  
Vol 72 (8) ◽  
pp. 1150-1152
Author(s):  
Heithem Abda ◽  
Khaireddine Ezzayani ◽  
Kaiss Aouadi ◽  
Taha Guerfel ◽  
Sebastien Vidal ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
The Other ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C17H28N2O3, the isoxazolidine ring adopts an envelope conformation with the O atom deviating from the mean plane of the other four ring atoms by 0.617 (1) Å. In the crystal, molecules are linkedviaweak C—H...O hydrogen bonds, forming chains which extend along theb-axis direction.

scholarly journals Crystal structure of ethyl (1RS,6SR)-4-(2-methyl-1H-imidazol-4-yl)-2-oxo-6-(2,3,5-trichlorophenyl)cyclohex-3-ene-1-carboxylate

2016 ◽  
Vol 72 (1) ◽  
pp. 31-34 ◽  
Author(s):  
Billava J. Mohan ◽  
Balladka K. Sarojini ◽  
Hemmige S. Yathirajan ◽  
Ravindranath Rathore ◽  
Christopher Glidewell
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Cyclocondensation Reaction

The title compound, C19H17Cl3N2O3, has been prepared in a cyclocondensation reaction between 2,3,5-trichlorobenzaldehye and 4-acetyl-2-methyl-1H-imidazole. The cyclohexenone ring adopts an envelope conformation with the C atom substituted by the trichlorophenyl ring as the flap. The mutuallytransester and aryl substituents both occupy equatorial sites. In the crystal, a combination of N—H...O and C—H...N hydrogen bonds links the molecules into ribbons of edge-fused centrosymmetric rings, which encloseR22(14) andR44(16) alternate ring motifs, propagating along theb-axis direction.

scholarly journals Crystal structure of 10-benzyl-9-(3,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione

2015 ◽  
Vol 71 (9) ◽  
pp. o688-o689 ◽  
Author(s):  
N. Sureshbabu ◽  
V. Sughanya
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
The Other ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Compound C ◽  
The Mean ◽  
Dihydropyridine Ring

In the acridinedione moiety of the title compound, C32H37NO4, the central dihydropyridine ring adopts a flattened-boat conformation, with the N atom and the methine C atom displaced from the mean plane of the other four atoms by 0.0513 (14) and 0.1828 (18) Å, respectively. The two cyclohexenone rings adopt envelope conformations, with the tetrasubsituted C atoms as the flap atoms. The 3,4-dimethoxybenzene and benzyl rings are almost normal to the dihydropyridine mean plane, with dihedral angles of 89.47 (9) and 82.90 (11)°, respectively. In the crystal, molecules are linkedviaa pair of C—H...O hydrogen bonds, forming inversion dimers, which are, in turn, linked by C—H...O hydrogen bonds, forming slabs lying parallel to (001).

scholarly journals Crystal structure of 10a-hydroxy-9-(3-nitrophenyl)-3,6-diphenyl-3,4,5,6,7,8a,9,10a-octahydro-1H-xanthene-1,8(2H)-dione

2015 ◽  
Vol 71 (12) ◽  
pp. 1510-1512
Author(s):  
Xin-Yuan Zhang ◽  
Bing-Xiang Hu ◽  
Ze-Yu Zhou ◽  
Lei Zhou ◽  
Fang-Ming Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Axis Direction ◽  
Compound C ◽  
Benzene Rings ◽  
Supramolecular Chains

In the octahydroxanthenedione unit of the title compound, C31H27NO6, the central dihydropyran ring shows an envelope conformation, while the bilateral cyclohexene and cyclohexane rings adopt a half-boat conformation and a chair conformation, respectively. The nitrobenzene ring is twisted with respect to the two benzene rings, making dihedral angles of 63.1 (1) and 63.0 (1)°. In the crystal, O—H...O hydrogen bonds link the molecules into supramolecular chains propagating along thea-axis direction.

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