scholarly journals 7a-Phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one

IUCrData ◽  
2020 ◽  
Vol 5 (7) ◽  
Author(s):  
Elena I. Linkova ◽  
Vyacheslav S. Grinev ◽  
Oksana A. Mayorova ◽  
Alevtina Yu. Yegorova
Keyword(s):  
Carbon Atom ◽  
Title Compound ◽  
Phenyl Substituent ◽  
Oxazole Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C12H13NO2, the pyrrolidinone moiety is almost flat while the oxazole ring adopts an envelope conformation with the carbon atom bearing the phenyl substituent as the flap: the angle between the mean planes of the fused heterocyclic rings is 45.47 (19)°. In the crystal, C—H...O and C—H...π contacts link the molecules into infinite [010] chains.

scholarly journals tert-Butyl (2S,3R,4R)-7′-bromo-4-methyl-2′,5-dioxo-4,5-dihydro-3H-spiro[furan-2,3′-indoline]-3-carboxylate

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Chen-Hong Meng ◽  
Ai-Bao Xia
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Furan Ring ◽  
Axis Direction ◽  
Tert Butyl ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C17H18BrNO5, the furan ring has an envelope conformation with the carboxylate substituted C atom as the flap. The planar indoline ring is inclined to the mean plane of the furan ring by 87.5 (2)°. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds forming chains propagating along the a-axis direction.

scholarly journals Crystal structure of 3-amino-5,5-dimethyl-2-[(E)-2-nitroethenyl]cyclohex-2-en-1-one

2014 ◽  
Vol 70 (11) ◽  
pp. 379-381
Author(s):  
Brigita Vigante ◽  
Dmitrijs Stepanovs ◽  
Andrejs Pelss ◽  
Anatoly Mishnev
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of the title compound, C10H14N2O3, contains two independent molecules with similar conformations. In the both molecules, the cyclohexene rings adopt the same envelope conformation with the flap C atoms lying 0.658 (3) and 0.668 (3) Å from the mean planes formed by the remaining atoms. In the crystal, adjacent molecules are connectedviaN—H...O hydrogen bonds and weak C—H...O interactions, forming supramolecular layers parallel to (-101).

scholarly journals Crystal structure of ethyl 1′,1′′-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate

2015 ◽  
Vol 71 (3) ◽  
pp. o142-o142
Author(s):  
M. P. Savithri ◽  
M. Suresh ◽  
R. Raghunathan ◽  
R. Raja ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Pyrrolidine Ring ◽  
Ring Systems ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C23H22N2O4S, the pyrrolidine ring has an envelope conformation with the spiro C atom, shared with the indoline ring system, as the flap. The mean planes of the benzothiophene and indoline ring systems are inclined to the mean plane of the pyrrolidine ring by 88.81 (8) and 79.48 (8)°, respectively, and to each other by 68.12 (5)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming chains propagating along [001].

scholarly journals 8,8-Dimethyl-8,9-dihydro-7H-chromeno[2,3-b]quinoline-10,12-dione

2013 ◽  
Vol 69 (2) ◽  
pp. o254-o254
Author(s):  
Thothadri Srinivasan ◽  
Panneerselvam Yuvaraj ◽  
Boreddy S. R. Reddy ◽  
Devadasan Velmurugan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Maximum Deviation ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C18H15NO3, the fused benzopyran and pyridine rings are essentially coplanar [r.m.s. deviation = 0.0533 Å with a maximum deviation of 0.080 (1) Å for a benzene C atom]. The cyclohexanone ring adopts an envelope conformation with the dimethyl-substituted C atom 0.660 (2) Å out of the plane formed by the remaining ring atoms (r.m.s. deviation = 0.0305 Å). The dihedral angle between the mean planes of the pyran and cyclohexanone rings is 12.95 (6)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, leading to chains running along [011].

scholarly journals 3-(4-Bromophenylsulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran

2012 ◽  
Vol 68 (6) ◽  
pp. o1624-o1624 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Mean Deviation ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C20H19BrO3S, the cyclopentyl ring adopts an envelope conformation. The 4-bromophenyl ring makes a dihedral angle of 82.09 (6)° with the mean plane [mean deviation = 0.026 (2) Å] of the benzofuran fragment. In the crystal, molecules are linked by weak C—H...O hydrogen bonds and Br...O contacts [3.309 (2) Å].

scholarly journals Crystal structure of 1,3-dimethyl-3-phenylpyrrolidine-2,5-dione: a clinically used anticonvulsant

2014 ◽  
Vol 70 (9) ◽  
pp. o942-o943 ◽  
Author(s):  
Carlos Ordonez ◽  
Ilia M. Pavlovetc ◽  
Victor N. Khrustalev
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Membered Ring ◽  
Framework Structure ◽  
Phenyl Substituent ◽  
Compound C ◽  
Planar Part ◽  
The Mean

In the title compound, C12H13NO2, the five-membered ring has an envelope conformation; the disubstituted C atom lies out of the mean plane through the four other ring atoms (r.m.s. deviation = 0.0038 Å) by 0.1877 (18) Å. The plane of the phenyl substituent is practically perpendicular to that of the planar part of the five-membered ring, with a dihedral angle of 87.01 (5)°. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming inversion dimers. The dimers are linked by further C—H...O hydrogen bonds, as well as carbonyl–carbonyl attractive interactions [O...C = 3.2879 (19) Å], forming a three-dimensional framework structure.

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 (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-Benzyl-3′-[(1H-indol-3-yl)carbonyl]-1′-methyl-2-oxo-4′-(pyridin-3-yl)spiro[indoline-3,2′-pyrrolidine]-3′-carbonitrile

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
P. Seethalakshmi ◽  
C. Palanivel
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyrrolidine Ring ◽  
Ring Systems ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C34H27N5O2, the central pyrrolidine ring adopts an envelope conformation, with the N atom as the flap. The mean planes of the two indoline ring systems are inclined to the mean plane of the central pyrrolidine ring by 86.26 (9) and 69.30 (9)°, respectively. The dihedral angle between the benzene and pyridine rings is 75.09 (11)°. In the crystal, molecules are linked by N—H...N and C—H...N hydrogen bonds, forming sheets parallel to theabplane.

scholarly journals 2,3-Dihydropyrrolo[2,1-b]quinazoline-9(1H)-thione

2012 ◽  
Vol 68 (6) ◽  
pp. o1746-o1746 ◽  
Author(s):  
Azizbek O. Nasrullayev ◽  
Burkhon Zh. Elmuradov ◽  
Kambarali K. Turgunov ◽  
Bakhodir Tashkhodjaev ◽  
Khusnutdin M. Shakhidoyatov
Keyword(s):  
Title Compound ◽  
Membered Ring ◽  
The Other ◽  
Central Ring ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

In the crystal, molecules of the title compound, C11H10N2S, are connected by C—H...N interactions around threefold axes. Furthermore, they form stacks along the c axis showing π–π interactions between pyrimidine rings [centroid–centroid distance = 3.721 (1) Å]. The central ring is essentially planar with an r.m.s. deviation of 0.007 Å. The five-membered ring adopts an envelope conformation with the flap atom deviating by 0.241 (4) Å from the mean plane (r.m.s. deviation = 0.002 Å) through the other four ring atoms.

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