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.

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-(2-Chlorobenzylidene)-4-(prop-2-ynyl)-2H-1,4-benzothiazin-3(4H)-one

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

In the title compound, C18H12ClNOS, the thiazine-3-one ring of the 1,4-thiazin-3-one moiety adopts a slightly distorted twist-boat conformation. The dihedral angle between the benzene rings is 86.2 (1)°. In the crystal, the crystal packing features a single weak C—H...O interaction and weak π–π stacking interactions.

scholarly journals 1-(2-Methylbenzyl)-1H-indole-3-carbaldehyde

2012 ◽  
Vol 68 (4) ◽  
pp. o1151-o1151 ◽  
Author(s):  
Yang Wu ◽  
Wen Ren ◽  
Qiang Wang ◽  
Gu He
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

In the title compound, C17H15NO, the benzene ring and the indole system are almost perpendicular, making a dihedral angle of 87.82 (6)°. The crystal packing is stabilized by C—H...O and π–π stacking interactions with centroid–centroid distances of 3.592 (4) Å between the pyrrole and the benzene rings in the indole systems of neighboring molecules.

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.

15a,15b-Dihydro-5H,7H,9H,14H,17H-15,16-methanodibenzo[e]diazepino[2,3-c;3′,2′-e]imidazole-7,18-dione

2007 ◽  
Vol 63 (11) ◽  
pp. o4480-o4480
Author(s):  
Yan Hu ◽  
Bao-han Zhou ◽  
Li-ping Cao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Membered Ring ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings ◽  
Molecular Clip

The title compound, C20H18N4O2, is a molecular clip based on the glycoluril framework. The two benzene rings are each fused to a seven-membered ring; these rings bind four of the N atoms from separate rings of the glycoluril system to form the sidewalls of the molecular clip. The crystal packing is stabilized by non-classical C—H...O hydrogen bonds. There are no π–π stacking interactions in the crystal structure. The molecule provides a model with approximate non-crystallographic C 2v symmetry.

11H-Dibenzo[b,e]azepin-6(5H)-one

2006 ◽  
Vol 62 (7) ◽  
pp. o3021-o3022 ◽  
Author(s):  
Qing-Bin Li ◽  
Wei-Chun Yang ◽  
Yong-Jun Han ◽  
Xiao-Jun Zhao
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

In the title compound, C14H14NO, the two benzene rings make a dihedral angle of 60.4 (4)°. The crystal packing is stabilized by intermolecular N—H...O and C—H...O hydrogen bonds and weak π–π stacking, linking the molecules into ladders of dimers.

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 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.

scholarly journals 1-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one

2014 ◽  
Vol 70 (4) ◽  
pp. o499-o499
Author(s):  
Pramod P. Kattimani ◽  
Ravindra R. Kamble ◽  
Mahadev N. Kumbar ◽  
H. K. Arunkashi ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C8H6ClN3O, the dihedral angle between the 1,2,4-triazole and benzene rings is 4.60 (9)° and an intramolecular C—H...O interaction closes anS(6) ring. In the crystal, inversion dimers linked by pairs of N—H...O hydrogen bonds generateR22(8) loops and C—H...O interactions link the dimers into [100] chains. Weak π–π stacking interactions [centroid–centroid distance = 3.644 (1) Å] are also observed.

scholarly journals Crystal structure of (E)-1-methyl-2-[2-(2-methoxphenyl)ethenyl]-4-nitro-1H-imidazole

2014 ◽  
Vol 70 (9) ◽  
pp. o966-o967
Author(s):  
Hayette Alliouche ◽  
Abdelmalek Bouraiou ◽  
Sofiane Bouacida ◽  
Hocine Merazig ◽  
Ali Belfaitah
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network

In the asymmetric unit of the title compound, C13H13N3O3, the 2-(2-methoxphenyl)ethenyl unit is connected to the methyl-nitroimidazole 1-methyl-4-nitro-1H-imidazole moiety. The molecule is quasi-planar and the planes of the two rings form a dihedral angle of 0.92 (11)°. The crystal packing can be described as layers parallel to the (011) plane, stabilized by intermolecular C—H...O hydrogen bonding, resulting in the formation of an infinite three-dimensional network linking these layers. Strong π–π stacking interactions are observed,viz.benzene–benzene, imidazole–imidazole and benzene–imidazole rings, with centroid–centroid distances of 3.528 (2), 3.457 (2) and 3.544 (2) Å, respectively. Intensity statistics indicated twinning by non-merohedry, with refined weighs of the twin components of 0.3687:0.6313.

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