scholarly journals 2-(4-Chlorophenyl)-4-phenyl-1,2-dihydroquinazoline

2013 ◽  
Vol 69 (11) ◽  
pp. o1653-o1654 ◽  
Author(s):  
Chamseddine Derabli ◽  
Raouf Boulcina ◽  
Sofiane Bouacida ◽  
Hocine Merazig ◽  
Abdelmadjid Debache
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Pyrimidine Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings

In the title compound, C20H15ClN2, the pyrimidine ring is in a flattened half-chair conformation. The phenyl and chloro-substituted benzene rings form dihedral angles of 84.97 (5) and 80.23 (4)°, respectively, with the benzene ring of the dihydroquinazoline group. The dihedral angle between the phenyl and chloro-substituted benzene rings is 61.71 (5)°. In the crystal, molecules are arranged in intersecting layers parallel to (101) and (-102), with N—H...N hydrogen bonds linking molecules along [010]. In addition, a weak C—H...π interaction is observed.

scholarly journals 4-Formyl-2-nitrophenyl 2-chlorobenzoate

2013 ◽  
Vol 69 (12) ◽  
pp. o1806-o1806 ◽  
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Geraldine Hernandez ◽  
Javier Ellena ◽  
Carlos A. De Simone ◽  
Juan C. Tenorio
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ester Group ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C14H8ClNO5, the benzene rings form a dihedral angle of 19.55 (9)°. The mean plane of the central ester group [r.m.s. deviation = 0.024 Å] forms dihedral angles of 53.28 (13) and 36.93 (16)°, respectively, with the nitro- and chloro-substituted rings. The nitro group forms a dihedral angle of 19.24 (19)° with the benzene ring to which it is attached. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, formingC(7) chains, which run along [100].

scholarly journals 2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

IUCrData ◽  
2018 ◽  
Vol 3 (4) ◽  
Author(s):  
Manisha Choudhury ◽  
Vijayan Viswanathan ◽  
Ajay Kumar Timiri ◽  
Barij Nayan Sinha ◽  
Venkatesan Jayaprakash ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyrimidine Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

In the title compound, C13H15N5O2S, the acetamide N—C(=O)—C plane makes dihedral angles of 30.51 (11) and 51.93 (11)°, respectively, with the benzene ring and the pyrimidine ring. The dihedral angle between the benzene and pyrimidine rings is 43.40 (6)°. There is an intramolecular N—H...N hydrogen bond with an S(7) ring motif. In the crystal, molecules are linked by pairs of intermolecular N—H...N hydrogen bonds, forming inversion dimers with an R 2 2(8) ring motif. The molecules are further linked by intermolecular N—H...O hydrogen bonds, forming a C(9) chain along [100]. Intermolecular C—H...π and N—H...π interactions are also observed.

scholarly journals N-(4-Chlorophenyl)-2,2-diphenylacetamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2556-o2557
Author(s):  
Hoong-Kun Fun ◽  
Wan-Sin Loh ◽  
Prakash S Nayak ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings ◽  
Ring Motif

In the title compound, C20H16ClNO, anS(6) ring motif is formedviaan intramolecular C—H...O hydrogen bond. The chloro-substituted benzene ring is almost perpendicular to the benzene rings, forming dihedral angles of 87.33 (9) and 88.69 (9)°. The dihedral angle between the benzene rings is 87.17 (9)°. In the crystal, molecules are linked into chains parallel to thecaxis by intermolecular N—H...O hydrogen bonds. The crystal packing also features weak C—H...π interactions involving the chloro-substituted ring.

scholarly journals Bis{4-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methane

2013 ◽  
Vol 69 (11) ◽  
pp. o1669-o1669
Author(s):  
Channappa N. Kavitha ◽  
Jerry P. Jasinski ◽  
Brian J. Anderson ◽  
H. S. Yathirajan ◽  
Manpreet Kaur
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
The Other ◽  
Envelope Conformation ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C25H32N4O4, both piperazine rings adopt a chair conformation. One of dioxolane ring systems is essentially planar [dihedral angle = 0.9 (2)°] while the other adopts a slightly disordered envelope conformation, the mean plane of the dioxolane ring being twisted by 3.6 (2)° from that of the benzene ring. The dihedral angle between the benzene rings is 69.9 (5)°. No classical hydrogen bonds were observed.

scholarly journals 4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3(2H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Yanwen Sun ◽  
Haolei Wu ◽  
Changheng Wei ◽  
Mei Gao ◽  
Zeyi Shen ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Bond Forming ◽  
Compound C ◽  
Pyridazine Ring ◽  
Morpholine Ring

In the title compound, C17H16ClN5O3, the phenyl and the oxadiazole rings are almost coplanar, subtending a dihedral angle of 4.34 (19)°. These rings lie almost normal to the pyridazine ring, making dihedral angles of 87.35 (16) and 89.06 (15)°, respectively. The morpholine ring has the usual chair conformation and its mean plane is inclined to the pyridazine ring by 39.45 (17)°. There is a short intramolecular C—H...Cl contact present. In the crystal, molecules are linked by bifurcated C—(H,H)...O hydrogen bonds and a C—H...N hydrogen bond, forming layers parallel to the ab plane.

scholarly journals Crystal stucture of methyl 2-({[2-(methoxycarbonyl)phenyl]carbamoyl}amino)benzoate

2015 ◽  
Vol 71 (5) ◽  
pp. o297-o298 ◽  
Author(s):  
Hasna Yassine ◽  
Mostafa Khouili ◽  
Lahcen El Ammari ◽  
Mohamed Saadi ◽  
El Mostafa Ketatni
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Dihedral Angles ◽  
Aromatic Rings ◽  
Compound C ◽  
Benzene Rings

In the title compound, C17H16N2O5, the dihedral angles between the central urea [N—C(=O)—N] fragment and its attached benzene rings are 20.20 (14) and 24.24 (13)°; the dihedral angle between the aromatic rings is 42.1 (1)°. The molecular conformation is consolidated by two intramolecular N—H...O hydrogen bonds, which both generateS(6) rings. In the crystal, inversion dimers linked by pairs of C—H...O interactions generateR22(14) loops. The dimers are linked by further C—H...O interactions into (011) sheets.

scholarly journals (E)-2-(4-Benzyloxy-2-hydroxybenzylidene)-N-methylhydrazinecarbothioamide

2014 ◽  
Vol 70 (2) ◽  
pp. o112-o113
Author(s):  
N. R. Sajitha ◽  
M. Sithambaresan ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Compound C ◽  
Benzene Rings

The molecule of the title compound, C16H17N3O2S, adopts anEconformation with respect to the azomethine C=N bond. The hydrazinecarbothioamide fragment is close to planar, with a largest deviation from the least-squares plane of 0.079 (2) Å for the hydrazide N atom. This fragment forms a dihedral angle of 9.43 (9)° with the central benzene ring. The benzene rings are inclined to one another by 67.55 (12)°. The molecular conformation is stabilized by an intramolecular O—H...N hydrogen bond involving the azomethine N atom. In the crystal, molecules are linked through weak N—H...S and N—H...O hydrogen bonds into double ribbons along [010]. The crystal packing also features C—H...π interactions.

scholarly journals N-[4-(4-Nitrophenoxy)phenyl]acetamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2485-o2485 ◽  
Author(s):  
Asifa Nigar ◽  
Zareen Akhter ◽  
M. Nawaz Tahir
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The asymmetric unit of the title compound, C14H12N2O4, contains two molecules that differ principally in the orientation of the acetamide substituent to the adjacent benzene ring with dihedral angles of 44.77 (7) and 19.06 (7)°. The dihedral angles between the benzene rings are 64.46 (4) and 80.84 (4)°. In the crystal, classical N—H...O hydrogen bonds formC(4) chains along [100]. These chains are interlinked by C—H...O contacts formingR22(10) rings. In the crystal, π–π interactions are observed with a distance of 3.5976 (18) Å between the centroids of the nitro-substituted benzene rings of one type of molecule.

4-(4-Chlorophenyl)-5-(4-methylphenyl)-3-(2-pyridyl)-4H-1,2,4-triazole

2006 ◽  
Vol 62 (4) ◽  
pp. o1279-o1280
Author(s):  
Shu-Ping Zhang ◽  
Zhao-Di Liu ◽  
Si-Chang Shao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings

In the title compound, C20H15ClN4, the two benzene rings form dihedral angles of 30.95 (9) and 70.69 (6)° with the triazole ring, and the dihedral angle between the triazole and the pyridine rings is 43.38 (8)°. Intermolecular C—H...N hydrogen bonds are observed in the crystal structure.

scholarly journals 3-(4-Fluorobenzoyl)-4-(4-fluorophenyl)-4-hydroxy-2,6-diphenylcyclohexane-1,1-dicarbonitrile

2014 ◽  
Vol 70 (6) ◽  
pp. o736-o737
Author(s):  
B. Narayana ◽  
M Sapnakumari ◽  
Balladka K. Sarojini ◽  
Jerry P. Jasinski
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Compound C ◽  
Phenyl Rings ◽  
Ring Motif

In the title compound, C33H24F2N2O2, the cyclohexane ring adopts a slightly distorted chair conformation. The dihedral angle between the planes of the phenyl rings is 71.80 (9)°, while the planes of the fluorophenyl and fluorobenzoyl rings are inclined to one another by 31.04 (10)°. The dihedral angles between the planes of the phenyl ring adjacent to the 4-hydroxy group and those of the the fluorophenyl and fluorobenzoyl rings are 51.64 (10) and 34.31 (10)°, respectively, while the corresponding angles for the phenyl ring adjacent to the 3-(4-fluorobenzoyl) group are 57.51 (9) and 85.02 (10)°, respectively. An intramolecular O—H...O hydrogen bond generates anS(6) ring motif. In the crystal, molecules are linkedviapairs of O—H...N hydrogen bonds, forming inversion dimers. The dimers are linkedviaC—H...N and C—H...O hydrogen bonds, forming chains along thec-axis direction. C—H...F hydrogen bonds link the chains into sheets lying parallel to thebcplane.

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