scholarly journals Crystal structure of (Z)-3-[5-chloro-2-(prop-2-ynyloxy)phenyl]-3-hydroxy-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

2015 ◽  
Vol 71 (8) ◽  
pp. o556-o557
Author(s):  
Aarti Dalal ◽  
Ramesh C. Kamboj ◽  
Dinesh Kumar ◽  
Mahendra Kumar Sharma ◽  
Nagendran Selvarajan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Double Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Photochemical Transformation ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

The title compound, C19H12ClF3O3, obtained by the photochemical transformation of 2-[5-chloro-2-(prop-2-ynyloxy)benzoyl]-3-[4-(trifluoromethyl)phenyl]oxirane adopts aZconformation with respect to the enolic C=C double bond. The dihedral angle between the benzene rings is 12.25 (16)° and an intramolecular O—H...O hydrogen bond closes anS(6) ring. An intramolecular C—H...O interaction also leads to anS(6) ring. In the crystal, very weak C—H...O interactions and short Cl...Cl contacts [3.3221 (16) Å] are seen, as well as weak aromatic π–π stacking interactions [centroid–centroid separation = 3.879 (2) Å].

scholarly journals (Z)-2-Benzylidene-3-n-butoxy-2H-1,4-benzothiazine

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Nada Kheira Sebbar ◽  
Mohamed Ellouz ◽  
Younes Ouzidan ◽  
Manpreet Kaur ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Ring Motif

In the title compound, C19H19NOS, the thiazin-3-one ring of the 1,4-thiazin-3-one moiety adopts a screw-boat conformation. The dihedral angle between the benzene rings is 31.0 (5)°. An intramolecular C—H...S hydrogen bond forms anS(6) ring motif. In the crystal, C—H...π(ring) contacts form inversion dimers and weak π–π stacking interactions, with a centroid-to-centroid distance of 3.8766 (2) Å, also occur.

scholarly journals 2-[(E)-(2-Aminophenyl)iminomethyl]-5-(dimethylamino)phenol

2009 ◽  
Vol 65 (6) ◽  
pp. o1232-o1232
Author(s):  
Yan-Hong Yu ◽  
Kun Qian
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Double Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Hydrogen Bonding Interaction ◽  
Compound C ◽  
Bonding Interaction ◽  
Benzene Rings

The molecule of the title compound, C17H21N3O, displays atransconfiguration with respect to the C=N double bond. The dihedral angle between the planes of the two benzene rings is 50.96 (11)° and a strong intramolecular O—H...N hydrogen bond is present. An intermolecular N—H...O hydrogen-bonding interaction stabilizes the crystal structure.

scholarly journals Bis(2,3-dichlorophenyl) disulfide

2014 ◽  
Vol 70 (5) ◽  
pp. o529-o529 ◽  
Author(s):  
Rebeca Nayely Osorio-Yáñez ◽  
Carmela Crisóstomo-Lucas ◽  
Ericka Santacruz-Juárez ◽  
Reyna Reyes-Martínez ◽  
David Morales-Morales
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
The Other ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

The title compound, C12H6Cl4S2, features an S—S bond [2.0252 (8) Å] that bridges two 2,3-dichlorophenyl rings with a C—S—S—C torsion angle of 88.35 (11)°. The benzene rings are normal one to the other with a dihedral angle of 89.83 (11)°. The crystal structure features intermolecular Cl...Cl [3.4763 (11) Å] and π–π stacking interactions [centroid–centroid distances = 3.696 (1) and 3.641 (2) Å]. Intramolecular C—H...S interactions are also observed.

N-[4-(4-Fluorophenyl)-5-methyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide

2007 ◽  
Vol 63 (3) ◽  
pp. o1293-o1294
Author(s):  
Xiao-Li Zhou ◽  
Jiang-Sheng Li ◽  
Wei Wang ◽  
Ying-Ying Zhang ◽  
Xiao-Peng Fan
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

In the crystal structure of the title compound, C16H20FN3O2S, the dihedral angle between the pyrimidine and benzene rings is 47.91 (12)°. Weak π–π stacking interactions help to determine the crystal packing.

Crystal Structure of 4-(1-Hydroxypropyl)- isochroman-1,3-dione

2009 ◽  
Vol 64 (3) ◽  
pp. 328-330 ◽  
Author(s):  
Akoun Abou ◽  
Severin D. Goulizan Bi ◽  
Leopold Kaboré ◽  
Abdoulaye Djandé ◽  
Adama Saba ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Stacking Interactions ◽  
Triclinic Space Group ◽  
Space Group ◽  
Compound C ◽  
Π Stacking

The title compound (C12H10O4) crystallizes in the triclinic space group P1̄ with a = 7.367(3), b = 8.1188(3), c = 9.549(5) Å, α = 74.034(1)°, β = 84.374(2)°, γ = 64.581(3)°, Z = 2, and dcalc = 1.462 g cm−3. It exhibits a strong intramolecular O-H···O hydrogen bond and exists as the exocyclic enolic tautomer as it has been observed in solution. The structure is stabilized by C-H···π, C-O···π and π-π stacking interactions between benzene and pyran rings.

scholarly journals N-[2-(2-Hydroxyethoxy)phenethyl]phthalimide

2012 ◽  
Vol 68 (6) ◽  
pp. o1636-o1636
Author(s):  
Er-Qun Yang ◽  
Jun-Tao Zhang ◽  
Xiao-Ping Cao ◽  
Jin-Zhong Gu
Keyword(s):  
Hydrogen Bond ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Benzene Rings

The title compound, C18H17NO4, was obtained accidentally through acid-catalysed aromatization of a phthalimide-substituted 2-(1-hydroxyethyl)cyclohex-2-enone. It exhibits an intramolecular O—H...Oc (c = carbonyl) hydrogen bond and forms a three-dimensional network structure via π–π stacking interactions between adjacent benzene rings (phthalimide-to-phenylene and phthalimide-to-phthalimide), with centroid–centroid distances of 3.8262 (6) and 3.6245 (5) Å.

scholarly journals (E)-4-Bromo-2-[(2,6-diisopropylphenyl)iminomethyl]phenol

2012 ◽  
Vol 68 (6) ◽  
pp. o1782-o1782
Author(s):  
P. Balamurugan ◽  
K. Kanmani Raja ◽  
S. Kutti Rani ◽  
G. Chakkaravarthi ◽  
G. Rajagopal
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Methyl Group ◽  
Compound C ◽  
Benzene Rings ◽  
Graph Set

In the title compound, C19H22BrNO, the dihedral angle between the benzene rings is 76.17 (14)° and an intramolecular O—H...N hydrogen bond with an S(6) graph-set motif is present. One methyl group is disordered over two sets of sites with site occupancies of 0.66 (3) and 0.34 (3). A weak intermolecular C—H...π interaction is observed in the crystal structure.

scholarly journals rac-(3S,4Z)-3-Chloro-4-[2-(3-fluorobenzylidene)hydrazinylidene]-1-methyl-3,4-dihydro-1H-2λ6,1-benzothiazine-2,2-dione

2012 ◽  
Vol 68 (6) ◽  
pp. o1787-o1787
Author(s):  
Muhammad Shafiq ◽  
M. Nawaz Tahir ◽  
Islam Ullah Khan ◽  
Saeed Ahmad
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Axial Orientation ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings ◽  
Thiazine Ring ◽  
Cl Atom

In the title compound, C16H13ClFN3O2S, the dihedral angle between the benzene rings is 4.47 (3)°. The conformation of the thiazine ring is a half-chair and the Cl atom is in an axial orientation. In the crystal, molecules are linked by C—H...F interactions, generating C(12) chains propagating in [011]. Aromatic π–π stacking interactions [centroid–centroid separations = 3.753 (2) and 3.758 (2) Å] also occur.

scholarly journals Crystal structure of (E)-4-methoxy-2-{[(5-methylpyridin-2-yl)imino]methyl}phenol

2015 ◽  
Vol 71 (11) ◽  
pp. o819-o819 ◽  
Author(s):  
Farook Adam ◽  
Md Azharul Arafath ◽  
Rosenani Anwaeul Haque ◽  
Mohd Rizal Razali
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Double Bond ◽  
Dihedral Angle ◽  
Compound C ◽  
Benzene Rings ◽  
Schiff Base Compound ◽  
Intramolecular Hydrogen ◽  
Base Compound

The molecule of the title Schiff base compound, C14H14N2O2, displays anEconformation with respect the imine C=N double bond. The molecule is approximately planar, with the dihedral angle formed by the planes of the pyridine and benzene rings being 5.72 (6)°. There is an intramolecular hydrogen bond involving the phenolic H and imine N atoms.

scholarly journals Ethyl 2-[1-(3-methylbutyl)-4-phenyl-1H-1,2,3-triazol-5-yl]-2-oxoacetate

2013 ◽  
Vol 69 (12) ◽  
pp. o1768-o1768
Author(s):  
Muhammad Naeem Ahmed ◽  
Khawaja Ansar Yasin ◽  
M. Nawaz Tahir ◽  
Muhammad Hafeez ◽  
Shahid Aziz
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Acetate Group ◽  
Stacking Interactions ◽  
Phenyl Substituent ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

In the title compound, C17H21N3O3, the non-planar (r.m.s. deviation = 0.212 Å) ethyl (oxo)acetate group is oriented towards the phenyl substituent. The triazole and benzene rings are twisted with respect to each other, making a dihedral angle of 41.69 (6)°. In the crystal, molecules are arranged into centrosymmetricR22(10) dimersviapairs of C—H...O interactions involving the ethyl (oxo)acetate groups. In addition, the triazole rings show π–π stacking interactions, with their centroids at a distance of 3.745 (2) Å.

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