scholarly journals Crystal structure of 2-[4-(methylsulfanyl)quinazolin-2-yl]-1-phenylethanol

2014 ◽  
Vol 70 (10) ◽  
pp. o1101-o1101 ◽  
Author(s):  
Gamal A. El-Hiti ◽  
Keith Smith ◽  
Amany S. Hegazy ◽  
Mansour D. Ajarim ◽  
Benson M. Kariuki
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Phenyl Group ◽  
Ring System ◽  
Interplanar Angle ◽  
Axis Direction ◽  
Compound C ◽  
Hydroxy Groups

In the molecule of the title compound, C17H16N2OS, the almost planar methylsulfanylquinazoline group [the methyl C atom deviates by 0.032 (2) Å from the plane through the ring system] forms an interplanar angle of 76.26 (4)° with the plane of the phenyl group. An intramolecular O—H...N hydrogen bond is present between the quinazoline and hydroxy groups. In the crystal, molecules are stacked along theb-axis direction.

scholarly journals Crystal structure of 9-methacryloylanthracene

2015 ◽  
Vol 71 (4) ◽  
pp. 357-359 ◽  
Author(s):  
Aditya Agrahari ◽  
Patrick O. Wagers ◽  
Steven M. Schildcrout ◽  
John Masnovi ◽  
Wiley J. Youngs
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Side Chain ◽  
Weak Hydrogen Bond ◽  
Axis Direction ◽  
Compound C ◽  
Centroid Distance

In the title compound, C18H14O, with systematic name 1-(anthracen-9-yl)-2-methylprop-2-en-1-one, the ketonic C atom lies 0.2030 (16) Å out of the anthryl-ring-system plane. The dihedral angle between the planes of the anthryl and methacryloyl moieties is 88.30 (3)° and the stereochemistry about the Csp2—Csp2bond in the side chain istransoid. In the crystal, the end rings of the anthryl units in adjacent molecules associate in parallel–planar orientations [shortest centroid–centroid distance = 3.6320 (7) Å]. A weak hydrogen bond is observed between an aromatic H atom and the O atom of a molecule displaced by translation in thea-axis direction, forming sheets of parallel-planar anthryl groups packing in this 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 4-bromo-N-[(3,6-di-tert-butyl-9H-carbazol-1-yl)methylidene]aniline

2019 ◽  
Vol 75 (10) ◽  
pp. 1429-1431
Author(s):  
Koji Kubono ◽  
Taisuke Matsumoto ◽  
Masatsugu Taneda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Ring System ◽  
Axis Direction ◽  
Π Interactions ◽  
Tert Butyl ◽  
Compound C ◽  
Ring Motif

In the title compound, C27H29BrN2, the carbazole ring system is essentially planar, with an r.m.s. deviation of 0.0781 (16) Å. An intramolecular N—H...N hydrogen bond forms an S(6) ring motif. One of the tert-butyl substituents shows rotational disorder over two sites with occupancies of 0.592 (3) and 0.408 (3). In the crystal, two molecules are associated into an inversion dimer through a pair of C—H...π interactions. The dimers are further linked by another pair of C—H...π interactions, forming a ribbon along the c-axis direction. A C—H...π interaction involving the minor disordered component and the carbazole ring system links the ribbons, generating a network sheet parallel to (100).

scholarly journals Crystal structure ofN-[6-amino-5-(benzo[d]thiazol-2-yl)-3-cyano-4-methylsulfanyl-2-oxo-1,2-dihydropyridin-1-yl]-4-methylbenzenesulfonamide dimethylformamide monosolvate

2017 ◽  
Vol 73 (12) ◽  
pp. 1820-1822 ◽  
Author(s):  
Rasha A. Azzam ◽  
Galal H. Elgemeie ◽  
Rasha E. Elsayed ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
Ring System ◽  
Interplanar Angle ◽  
Compound C ◽  
Intramolecular Hydrogen

In the title compound, C21H17N5O3S3·C3H7NO, the toluenesulfonamide ring and the combined ring system involving the pyridone and benzothiazole rings subtend an interplanar angle of 39.86 (4)°. The pyridone and benzothiazyl rings are linked by the intramolecular hydrogen bond N—Hamine...Nthiazole. The DMF O atom accepts two classical hydrogen bonds. The molecules are linked by hydrogen bonds and an S...O contact to form layers parallel to thebcplane.

scholarly journals Crystal structure of 1-[(Z)-2-phenylhydrazin-1-ylidene]naphthalen-2(1H)-one

2015 ◽  
Vol 71 (5) ◽  
pp. o303-o303
Author(s):  
Ali Benosmane ◽  
Mohamed Amine Benaouida ◽  
Assia Mili ◽  
Abdelkader Bouchoul ◽  
Hocine Merazig
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carbonyl Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Imino Group ◽  
Compound C ◽  
Supramolecular Chains

In the title compound, C16H12N2O, the dihedral angle between the planes of the benzene ring and naphthalenone ring system is 1.89 (8)°; an intramolecular N—H...O hydrogen bond occurs between the imino group and the carbonyl group. In the crystal, molecules are linked by weak C—H...π interactions into supramolecular chains propagating along the [01-1] direction.

scholarly journals Crystal structure of (Z)-3-{3-(4-chlorophenyl)-2-[(4-chlorophenyl)imino]-2,3-dihydrothiazol-4-yl}-2H-chromen-2-one

2014 ◽  
Vol 70 (12) ◽  
pp. o1268-o1269
Author(s):  
M. Kayalvizhi ◽  
G. Vasuki ◽  
R. Raj Kumar ◽  
V. Rajeswar Rao
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Thiazole Ring ◽  
Maximum Deviation ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Chromene Ring

In the title compound, C24H14Cl2N2O2S, the 2H-chromene ring system is approximately planar, with a maximum deviation of 0.025 (2) Å. The thiazole ring is almost planar, with an r.m.s. deviation of 0.0022 Å, and makes a dihedral angle of 58.52 (7)° with the chromene ring system. The chromene ring system is inclined at angles of 58.3 (1) and 55.39 (9)° with respect to the two chlorophenyl rings. The two chlorophenyl rings show significant deviation from coplanarity, with a dihedral angle between them of 47.69 (8)°. The crystal structure features C—H...Cl interactions extending in (100) and propagating along thea-axis direction and weak π–π interactions [centroid–centroid separation = 3.867 (2) Å].

scholarly journals Crystal structure of diethyl (E)-2-[(benzofuran-2-yl)methylidene]succinate

2015 ◽  
Vol 71 (11) ◽  
pp. o872-o872
Author(s):  
Marie-Luis Schirmer ◽  
Anke Spannenberg ◽  
Thomas Werner
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Wittig Reaction ◽  
Ring System ◽  
Dihedral Angles ◽  
Compound C ◽  
The Mean

The title compound, C17H18O5, was synthesized by a base-free catalytic Wittig reaction. The molecule consists of a diethyl itaconate unit, which is connectedviathe C=C double bond to a benzofuran moiety. The benzofuran ring system (r.m.s. deviation = 0.007 Å) forms dihedral angles of 79.58 (4) and 12.12 (10)° with the mean planes through thecisandtransethoxycarbonyl groups, respectively. An intramolecular C—H...O hydrogen bond involving the O atom of the benzofuran moiety is observed. In the crystal, molecules are linked into ribbons running parallel to thebaxis by C—H...O hydrogen bonds.

scholarly journals 3-(1H-Indol-3-yl)-2-benzofuran-1(3H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
R. Anil Kumar ◽  
S. Naveen ◽  
M. Abdul Rahiman ◽  
K. M. Mahadevan ◽  
M. N. Kumara ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Indole Ring ◽  
Ring Systems ◽  
Axis Direction ◽  
Compound C

In the title compound, C16H11NO2, the benzofuran and indole ring systems are nearly orthogonal, subtending a dihedral angle of 86.55 (4)°. The crystal structure features an N—H...O hydrogen bond, which leads to the formation of chains propagating along thea-axis direction.

scholarly journals Crystal structure of 4-methoxyquinazoline

2014 ◽  
Vol 70 (12) ◽  
pp. o1279-o1279
Author(s):  
Gamal A. El-Hiti ◽  
Keith Smith ◽  
Amany S. Hegazy ◽  
Mohammed B. Alshammari ◽  
Benson M. Kariuki
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Methoxy Group ◽  
Ring System ◽  
Axis Direction ◽  
Compound C ◽  
The Mean ◽  
Packing Arrangement

The title compound, C9H8N2O, is almost planar, with the C atom of the methoxy group deviating from the mean plane of the quinazoline ring system (r.m.s. deviation = 0.011 Å) by 0.068 (4) Å. In the crystal, molecules form π–π stacks parallel to theb-axis direction [centroid–centroid separation = 3.5140 (18) Å], leading to a herringbone packing arrangement.

scholarly journals Crystal structure of 2-azido-1H-imidazole-4,5-dicarbonitrile

2015 ◽  
Vol 71 (9) ◽  
pp. o633-o633 ◽  
Author(s):  
G. Kenneth Windler ◽  
Brian L. Scott ◽  
Neil C. Tomson ◽  
Philip W. Leonard
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Central Ring ◽  
Axis Direction ◽  
Compound C ◽  
Ring Molecules ◽  
A Chain

In the title compound, C5HN7, the nitrile and azido substituents are close to being coplanar with the central ring. Molecules in the crystal are linkedviaan N—H...N hydrogen bond to a nitrile acceptor, forming a chain extending along thec-axis direction.

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