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.

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].

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 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 (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 Crystal structure of ethyl 2-chloro-6-methylquinoline-3-carboxylate

2014 ◽  
Vol 70 (9) ◽  
pp. o941-o941
Author(s):  
Hasna Hayour ◽  
Abdelmalek Bouraiou ◽  
Sofiane Bouacida ◽  
Saida Benzerka ◽  
Ali Belfaitah
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Ester Group ◽  
Ring System ◽  
Quinoline Ring ◽  
Compound C ◽  
Π Stacking ◽  
Methyl Torsion

In the title compound, C13H12ClNO2, the dihedral angle between the planes of the quinoline ring system (r.m.s. deviation = 0.029 Å) and the ester group is 54.97 (6)°. The C—O—C—Cm(m = methyl) torsion angle is −140.62 (16)°. In the crystal, molecules interactviaaromatic π–π stacking [shortest centroid–centroid separation = 3.6774 (9) Å] generating (010) sheets.

scholarly journals Crystal structure of allylammonium hydrogen succinate at 100 K

2014 ◽  
Vol 70 (9) ◽  
pp. o917-o918 ◽  
Author(s):  
Błażej Dziuk ◽  
Bartosz Zarychta ◽  
Krzysztof Ejsmont
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
The Other ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C

The asymmetric unit of the title compound, C2H8N+·C4H5O4−, consists of two allylammonium cations and two hydrogen succinate anions (Z′ = 2). One of the cations has a near-perfectsyn-periplanar (cis) conformation with an N—C—C—C torsion angle of 0.4 (3)°, while the other is characterized by agaucheconformation and a torsion angle of 102.5 (3)°. Regarding the anions, three out of four carboxilic groups are twisted with respect to the central C–CH2–CH2–C group [dihedral angles = 24.4 (2), 31.2 (2) and 40.4 (2)°], the remaining one being instead almost coplanar, with a dihedral angle of 4.0 (2)°. In the crystal, there are two very short, near linear O—H...O hydrogen bonds between anions, with the H atoms shifted notably from the donor O towards the O...O midpoint. These O—H...O hydrogen bonds form helical chains along the [011] which are further linked to each other through N—H...O hydrogen bonds (involving all the available NH groups), forming layers lying parallel to (100).

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)-4-ethyl-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one

2015 ◽  
Vol 71 (6) ◽  
pp. o432-o432
Author(s):  
Mohamed Akhazzane ◽  
Ghali Al Houari ◽  
Mohamed El Yazidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Axial Orientation ◽  
Boat Conformation ◽  
Compound C ◽  
Benzene Rings ◽  
Van Der Waals Contacts

In the title compound, C20H20O2, the exocyclic C=C double bond has anEconformation. The ethyl substituent on the cyclohexanone ring is in an axial orientation. The cyclohexanone ring adopts a screw-boat conformation, with the methylene C atom and the C atom bearing the 4-methoxybenzylidene group displaced from the other atoms by 0.812 (1) and 0.334 (1) Å, respectively. The dihedral angle between the planes of the benzene rings is 42.20 (8)°. In the crystal, no directional interactions beyond van der Waals contacts are observed.

scholarly journals tert-Butyl 3-amino-5-bromo-1H-indazole-1-carboxylate

IUCrData ◽  
2021 ◽  
Vol 6 (7) ◽  
Author(s):  
Aravazhi Amalan Thiruvalluvar ◽  
Raviraj Kusanur ◽  
Makuteswaran Sridharan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Tert Butyl ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C12H14BrN3O2, the pyrazole and benzene rings are nearly co-planar with a dihedral angle between the rings of 2.36 (5)°. In the crystal, inversion dimers linked by pairwise N—H...N hydrogen bonds generate R 2 2(8) loops. The dimers are linked into a three-dimensional network by weak aromatic π–π stacking interactions [centroid–centroid separation = 3.7394 (6) Å] and C—H...O and C—H...Br hydrogen bonds.

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