scholarly journals Crystal strucutre ofrac-methyl (11aR*,12S*,13R*,15aS*,15bS*)-11-oxo-11,11a,12,13-tetrahydro-9H,15bH-13,15a-epoxyisoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine-12-carboxylate

2014 ◽  
Vol 70 (12) ◽  
pp. o1225-o1226
Author(s):  
Vladimir P. Zaytsev ◽  
Daria N. Orlova ◽  
Atash V. Gurbanov ◽  
Fedor I. Zubkov ◽  
Victor N. Khrustalev
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Heterocyclic System ◽  
Lactone Ring ◽  
Amide Bond ◽  
Boat Conformation ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean ◽  
Centrosymmetric Dimers

The title compound, C21H18N2O4, obtained as a racemate, contains a novel heterocyclic system,viz.isoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine. The central diazepane ring has a distorted boat conformation with two phenylene-fused and one methine C atom deviating by 0.931 (1), 0.887 (1) and 0.561 (1) Å, respectively, from the mean plane of the rest of the ring. The γ-lactone ring has an envelope conformation, with the C atom opposite to amide bond deviating by 0.355 (1) Å from its plane. In the crystal, molecules form centrosymmetric dimers through pairs of C—H...O hydrogen bonds.

scholarly journals 9-(4-Formylphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
R. Kalaivanan ◽  
V. Sughanya ◽  
N. Sureshbabu
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Pyran Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C24H26O4, the central 4H-pyran ring adopts a flattened boat conformation, with the mean and maximum deviations of the ring being 0.0582 (6) and 0.1012 (3) Å, respectively. The two cyclohexenone rings on opposite sides of the pyran ring each adopt an envelope conformation; the C atom bearing a dimethyl substituent is the flap atom in each case. The mean planes of the pyran ring and the substituent benzene ring subtend a dihedral angle of 86.45 (2)°. In the crystal, molecules are linked into inversion dimers via pairs of C—H...O hydrogen bonds.

scholarly journals 6-Methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-thione

IUCrData ◽  
2016 ◽  
Vol 1 (8) ◽  
Author(s):  
Youness El Bakri ◽  
Abdallah Harmaoui ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Triazole Ring ◽  
Boat Conformation ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Centrosymmetric Dimers

In the molecule of the title compound, C6H7N5S, the triazole ring is planar, while the triazepine ring displays a boat conformation. The dihedral angle between the mean plane through the triazole and triazepine rings is 18.48 (8)°. In the crystal, molecules are linked into centrosymmetric dimers by N—H...N hydrogen bondsviaeight-membered {...HNCN}2synthons. Supramolecular layers in theabplane are sustained by C—H...N and π–π interactions [inter-centroid separation between triazole rings = 3.2880 (16) Å]. Connections along thecaxis occur between S atoms [S...S = 3.5972 (16) Å].

scholarly journals Brusatol

2012 ◽  
Vol 68 (6) ◽  
pp. o1592-o1593 ◽  
Author(s):  
Shu-Zhi Hu ◽  
Lu Jin ◽  
Tong Yu ◽  
Hai-Yan Tian ◽  
Ren-Wang Jiang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Carbonyl Group ◽  
Title Compound ◽  
Lactone Ring ◽  
Chair Conformation ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

The title compound, C26H32O11, is composed of an α,β-unsaturated cyclohexanone ring (A), two cyclohexane rings (B and C), a six-membered lactone ring (D) and tetrahydrofuran ring (E). Ring A exists in a half-chair conformation with a C atom displaced by 0.679 (2) Å from the mean plane through the remaining five atoms. Ring B exists in a normal chair conformation. Both rings C and D exist in a twisted-chair conformation due to the O-atom bridge and the carbonyl group in rings C and D, respectively. Ring E shows an envelope conformation with a C atom displaced by 0.761 (1) Å from the mean plane through the remaining five atoms. The ring junctions are A/B trans, B/C trans, C/D cis and D/E cis. An intramolecular O—H...O hydrogen bond occurs. In the crystal, O—H...O hydrogen bonds involving the hydroxy, lactone and ester groups and C—H...O interactions are observed.

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.

(9E)-9-Benzylidene-2-methylsulfanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4(3H)-one: a hydrogen-bondedR22(8) dimer

2013 ◽  
Vol 69 (12) ◽  
pp. 1524-1526
Author(s):  
Diana Becerra ◽  
Braulio Insuasty ◽  
Justo Cobo ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Mild Oxidation ◽  
Envelope Conformation ◽  
Compound C ◽  
Centrosymmetric Dimers

In the molecule of the title compound, C25H21N3OS, which was prepared by mild oxidation of the corresponding 5,6,7,8,9,10-hexahydro analogue, the fused carbocyclic ring adopts an envelope conformation. Pairs of molecules are linked into cyclic centrosymmetric dimers by pairs of inversion-related N—H...O hydrogen bonds.

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 4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
Jaqueline Evangelista Queiroz ◽  
Giuliana Muniz Vila Verde ◽  
Mariette Miguens Pereira ◽  
Manuela Ramos Silva ◽  
Gilberto L. B. Aquino
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Boat Conformation ◽  
Pyran Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Microwave Assisted ◽  
Compound C ◽  
The Mean

In the title compound, C18H18O3, a dihydrocoumarin synthesizedviaa microwave-assisted hydroarylation reaction, the 4-methoxyphenyl ring is inclined to the mean plane of the coumarin moiety by 78.21 (9)°. The pyran ring has a screw-boat conformation and its mean plane is inclined to the fused benzene ring by 13.88 (11)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming ribbons along theb-axis direction. The ribbons are linkedviaC—H...π interactions, forming slabs parallel to theabplane.

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 Methyl (E)-2-({2-[(E)-(hydroxyimino)methyl]phenoxy}methyl)-3-(4-methylphenyl)acrylate

2012 ◽  
Vol 68 (6) ◽  
pp. o1617-o1617
Author(s):  
G. Ganesh ◽  
J. Srinivasan ◽  
E. Govindan ◽  
M. Bakthadoss ◽  
A. SubbiahPandi
Keyword(s):  
Double Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Aromatic Rings ◽  
Methyl Group ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean ◽  
Centrosymmetric Dimers

In the title compound, C19H19NO4, the dihedral angle between the mean planes through the benzene rings is 82.18 (7)°. The C=N double bond is trans-configured. The molecules are linked into centrosymmetric dimers via pairs of O—H...N hydrogen bonds with the motif R 2 2(6). The crystal packing also features C—H...O interactions. The methyl group attached to one of the aromatic rings is disordered over two almost equally occupied positions [occpancy ratio = 0.51 (4):0.49 (4)].

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