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.

scholarly journals 5-Chloro-3-ethylsulfinyl-7-methyl-2-(4-methylphenyl)-1-benzofuran

2014 ◽  
Vol 70 (4) ◽  
pp. o458-o458
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
The Other ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Other Hand ◽  
Centroid Distance ◽  
The Mean

In the title compound, C18H17ClO2S, the dihedral angle between the mean planes of the benzofuran ring system and the methylphenyl ring is 14.50 (4)°. The centroid–centroid distances between the benzene and the methylphenyl rings are 3.827 (2) and 3.741 (2) Å, while the centroid–centroid distance between the furan and methylphenyl rings is 3.843 (2) Å. These distances indicate π–π interactions; on the other hand, the interplanar angles between the benzene and methylphenyl rings, and between the furan and methylphenyl rings are 13.89 (4) and 15.53 (4)°, respectively. In the crystal, the molecules stack along thea-axis direction.

scholarly journals 5-Cyclopentyl-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran

2014 ◽  
Vol 70 (4) ◽  
pp. o481-o481 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C21H22O3S, the five-membered ring adopts an envelope conformation with theipsoatom deviating by 0.596 (2) Å from the plane through the rest of the ring atoms. The dihedral angle between the mean planes of the benzofuran andm-tolyl moieties is 78.4 (1)°. In the crystal, molecules related by a glide plane are linkedviaC—H...O hydrogen bonds into chains along thea-axis direction. These chains are in turn connected by C—H...π interactions into layers parallel to theacplane.

scholarly journals 5′′-(4-Methoxybenzylidene)-1′-(4-methoxyphenyl)-1′′-methyl-1′,2′,3′,5′,6′,7′,8′,8a′-octahydrodispiro[acenaphthylene-1,3′-indolizine-2′,3′′-piperidine]-2,4′′(1H)-dione

2013 ◽  
Vol 69 (2) ◽  
pp. o256-o257 ◽  
Author(s):  
J. Suresh ◽  
R. A. Nagalakshmi ◽  
S. Sivakumar ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Title Compound ◽  
Chair Conformation ◽  
The Other ◽  
Piperidine Ring ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Puckering Parameters ◽  
Centrosymmetric Dimers

In the title compound, C39H38N2O4, the pyridinone ring adopts a twisted half-chair conformation with the N atom deviating by 0.3304 (1) and with the methylene C atom adjacent to the octahydroindolizine unit deviating by 0.444 (3) Å from the mean plane defined by the other four atoms. In the octahydroindolizine system, the pyrrolidine ring exhibits an envelope conformation, with the fused methyne C atom deviating by 0.6315 (1) Å from the mean plane defined by the other four atoms, and the piperidine ring exhibits a distorted chair conformation, as reflected in the puckering parametersQ= 0.568 (4) Å, θ = 1.5 (4) and ϕ = 161 (16)°. In the crystal pairs of weak C—H...O interactions form centrosymmetric dimers, which are further connected by C—H...π interactions. The crystal studied was a non-merohedral twin, with a domain ratio of 0.91:0.09.

scholarly journals 3-(3-Chlorophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran

2012 ◽  
Vol 68 (4) ◽  
pp. o943-o943
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Interplanar Distance ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

In the title compound, C17H15ClO2S, the 3-chlorophenyl ring makes a dihedral angle of 84.48 (4)° with the mean plane [r.m.s. deviation = 0.004 (1) Å] of the benzofuran fragment. In the crystal, molecules are linked by weak C—H...O, C—H...π and C—S...π [3.414 (2) Å] interactions. The crystal structure also exhibits weak π–π interactions between the furan rings of neighbouring molecules [centroid–centroid distance = 3.826 (2), interplanar distance = 3.447 (2) and slippage = 1.660 (2) Å].

scholarly journals 5-Bromo-1-methylindoline-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (5) ◽  
Author(s):  
Yassine Kharbach ◽  
Amal Haoudi ◽  
Frédéric Capet ◽  
Ahmed Mazzah ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

In the title compound, C9H6BrNO2, the indoline ring system, the two ketone O atoms and the Br atom are nearly coplanar, with the largest deviation from the mean plane being −0.1025 (4) Å. In the crystal, molecules are linked by two weak C—H...O hydrogen bonds and π–π interactions [inter-centroid distance = 3.510 (2) Å], forming a three-dimensional structure.

scholarly journals 1-(4-Bromophenylsulfinyl)-2-methylnaphtho[2,1-b]furan

2012 ◽  
Vol 68 (4) ◽  
pp. o1246-o1246
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Interplanar Distance ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C19H13BrO2S, the 4-bromophenyl ring makes a dihedral angle of 83.75 (4)° with the mean plane of the naphthofuran fragment [r.m.s. deviation = 0.024 (2) Å]. In the crystal, molecules are linkedviapairs of C—H...O hydrogen bonds, forming inversion dimers. These dimers are connected by weak π–π interactions between the central naphthofuran benzene rings of neighbouring molecules [centroid–centroid distance = 3.483 (2) Å, interplanar distance = 3.416 (2) Å and slippage = 0.680 (2) Å].

scholarly journals 2-Methyl-1-(3-methylphenylsulfonyl)naphtho[2,1-b]furan

2014 ◽  
Vol 70 (4) ◽  
pp. o416-o416
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean ◽  
Supramolecular Chains

In the title compound, C20H16O3S, the dihedral angle between the mean planes of the naphthofuran and 3-methylphenyl fragments is 88.56 (2)°. In the crystal, molecules are linkedviapairs of C—H...O hydrogen bonds, forming inversion dimers. These dimers are linked by π–π interactions between the furan rings of neighbouring molecules [centroid–centroid distance = 3.701 (2) Å] into supramolecular chains running along thea-axis direction.

scholarly journals 6-Chloro-8-nitro-4-oxo-4H-chromene-3-carbaldehyde

2014 ◽  
Vol 70 (5) ◽  
pp. o547-o547
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Title Compound ◽  
Formyl Group ◽  
Torsion Angles ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C10H4ClNO5, the non-H atoms of the 6-chlorochromone unit are coplanar (r.m.s. deviation = 0.017 Å) with the largest deviation from the mean plane [0.031 (2) Å] being found for the C=O C atom. The nitro group (NO2) is inclined to the chromone unit mean plane by 13.3 (2) °. The formyl group is also twisted with respect to the attached ring [C—C—C—O torsion angles = 10.8 (4) and −171.8 (2)°]. In the crystal, molecules are linked via C-H...O hydrogen bonds forming slab-like networks lying parallel to (-301). The slabs are linked by π–π interactions involving the benzene rings of the chromone units [centroid–centroid distance = 3.770 (3) Å].

Diethyl 7,12-dihydro-8-iodo-6,13-dioxo-cis-7H,11H-2,4-dioxa-5a,6a,12a,13a-tetraazabenz[f]cycloocta[cd]azulene-13b,13c-dicarboxylate

2006 ◽  
Vol 62 (7) ◽  
pp. o2738-o2740
Author(s):  
Yun-Feng Chen ◽  
Yu-Zhou Wang ◽  
Hui-Zhen Guo ◽  
Yi-Tao Li
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
The Other ◽  
Π Interactions ◽  
Compound C ◽  
Methylene Groups ◽  
Methylene Group

The title compound, C21H23IN4O8, is a glycoluril derivative with five fused rings. An iodobenzene ring is fused to a seven-membered ring which binds two of the N atoms from separate rings of the glycoluril system. The other N atoms are linked via methylene groups to form an eight-membered ring with two ether O atoms separated by an additional methylene group. The crystal structure is stabilized by inversion-related C—H...π interactions together with C—H...O non-classical hydrogen bonds.

scholarly journals 5-Bromo-3-(3-fluorophenylsulfinyl)-2-methyl-1-benzofuran

2012 ◽  
Vol 68 (8) ◽  
pp. o2491-o2491 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Site Occupancy ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

In the title compound, C15H10BrFO2S, the 3-fluorophenyl ring makes a dihedral angle of 85.0 (1)° with the mean plane [r.m.s. deviation = 0.008 (2) Å] of the benzofuran fragment. In the crystal, molecules are linked by weak C—H...O hydrogen bonds and a Br...O contact [3.200 (3) Å]. The crystal structure also exhibits slipped π–π interactions between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.619 (4) Å and slippage of 1.389 (4) Å]. In the 3-fluorophenyl ring, the F atom is disordered over two positions with site-occupancy factors of 0.583 (5) and 0.417 (5).

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