scholarly journals Crystal structure ofcatena-poly[1,3-dibenzylbenzimidazolium [[chloridomercurate(II)]-di-μ-chlorido]]

2015 ◽  
Vol 71 (12) ◽  
pp. m255-m256
Author(s):  
Mehdi Bouchouit ◽  
Abdelmalek Bouraiou ◽  
Sofiane Bouacida ◽  
Hocine Merazig ◽  
Ali Belfaitah ◽  
...  
Keyword(s):  
Crystal Packing ◽  
Rotation Axis ◽  
The Other ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Rotation Symmetry ◽  
Coordination Environment ◽  
Compound C ◽  
Benzene Rings ◽  
Cl Atoms

The asymmetric unit of the polymeric title compound, {(C21H19N2)[HgCl3]}n, comprises one-half of the cationic molecule, the other half being generated by application of twofold rotation symmetry, one Hg and two Cl atoms. The HgIIatom, lying on a twofold rotation axis, exhibits a distorted triangular coordination environment and is surrounded by three Cl atoms with Hg—Cl distances in the range 2.359 (2)–2.4754 (13) Å. Two additional longer distances [Hg...Cl = 3.104 (14) Å] lead to the formation of polymeric [HgCl1/1Cl4/2]−chains extending along [001]. The crystal packing can be described by cationic layers alternating parallel to (-110) with the anionic chains located between the layers. The packing is consolidated by π–π stacking interactions between the benzene rings of the central benzimidazole entities, with centroid-to-centroid distances of 3.643 (3) Å.

scholarly journals Crystal structure of 4-({5-[(E)-(3,5-difluorophenyl)diazenyl]-2-hydroxybenzylidene}amino)-2,2,6,6-tetramethylpiperidin-1-oxyl

2015 ◽  
Vol 71 (7) ◽  
pp. 864-866
Author(s):  
Ramazan Tatsız ◽  
Veli T. Kasumov ◽  
Tuncay Tunc ◽  
Tuncer Hökelek
Keyword(s):  
Dihedral Angle ◽  
Three Dimensional ◽  
Chair Conformation ◽  
The Other ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C22H25F2N4O2, contains two crystallographically independent molecules. In one molecule, the two benzene rings are oriented at a dihedral angle of 1.93 (10)° and in the other molecule the corresponding dihedral angle is 7.19 (9)°. The piperidine rings in the two molecules adopt a similar distorted chair conformation, and both have pseudo-mirror planes passing through the N—O bonds. An intramolecular O—H...N hydrogen bond between the hydroxy group and the imine N atom is observed in both molecules. In the crystal, weak C—H...O and C—H...F hydrogen bonds, enclosingR22(6) ring motifs, and weak π–π stacking interactions link the molecules into a three-dimensional supramolecular network, with centroid-to-centroid distances between the nearly parallel phenyl and benzene rings of adjacent molecules of 3.975 (2) and 3.782 (2) Å.

scholarly journals Ethyl 8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate

2014 ◽  
Vol 70 (6) ◽  
pp. o719-o719 ◽  
Author(s):  
Yoshinobu Ishikawa ◽  
Nanako Yoshida
Keyword(s):  
Hydrogen Bonding ◽  
The Other ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Face To Face ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Translation Symmetry ◽  
Independent Molecules

In the title compound, C13H13NO4, the asymmetric unit contains four independent molecules, each exhibiting an intramolecular N—H...O hydrogen bond. The ethyl group in one of the four molecules is disordered, with a refined occupancy ratio of 0.295 (16):0.705 (16). A face-to-face stacking interaction is found between the benzene rings of the quinoline units of two of the molecules [centroid–centroid distance = 3.541 (2) Å], which are sandwiched by the other two molecules through N—H...O hydrogen bonding. In the crystal, the sandwiched molecules are assembledviastacking interactions along theb-axis direction with their translation-symmetry equivalents [centroid–centroid distance = 3.529 (2) Å], and are further linked through N—H...O hydrogen bonding. The other two molecules are linkedviastacking interactions with their inversion-symmetry equivalents [centroid–centroid distances = 3.512 (3) and 3.716 (4) Å] andviaN—H...O hydrogen bonding.

scholarly journals Poly[diaquatris(μ6-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazine-2-carboxylato)tripotassium]

2014 ◽  
Vol 70 (5) ◽  
pp. m174-m175
Author(s):  
Sarra Soudani ◽  
Emmanuel Aubert ◽  
Emmanuel Wenger ◽  
Christian Jelsch ◽  
Isabelle Gautier-Luneau ◽  
...  
Keyword(s):  
Water Molecule ◽  
Crystal Packing ◽  
Rotation Axis ◽  
Ring System ◽  
The Other ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Compound K ◽  
Centroid Distance

The asymmetric unit of the title compound, [K3(C4H2N3O4)3(H2O)2]n, contains two potassium cations (one in general position, one located on a twofold rotation axis), one and a half oxonate anions (the other half generated by twofold symmetry) and one water molecule. As a result of the twofold symmetry, one H atom of the symmetric anion is statistically occupied. Both potassium cations are surrounded by eight oxygen atoms in the form of distorted polyhedra. Adjacent cations are interconnected by oxygen bridges, generating layers parallel to (100). The aromatic ring system of the oxonate anions link these layers into a network structure. The crystal packing is stabilized by N—H...O, O—H...O and O—H...N hydrogen bonds, three of which are bifurcated. In addition, intermolecular π–π stacking interactions exist between neighboring aromatic rings with a centroid–centroid distance of 3.241 (2) Å.

scholarly journals (Z)-2,3-Dichloro-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione

2014 ◽  
Vol 70 (8) ◽  
pp. o861-o862 ◽  
Author(s):  
Ram K. Tittal ◽  
Satish Kumar ◽  
R. N. Ram
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Crystal Packing ◽  
The Other ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Independent Molecules

The title compound, C16H8Cl4O2, crystallizes with two independent molecules in the asymmetric unit. Both molecules have aZconformation around the central double bond and they show significantly different C—C—C—O torsion angles between the aromatic ring and the carbonyl group [30.1 (7) and 3.9 (7)° in one molecule and 23.5 (7) and 9.3 (8)° in the other]. The crystal packing shows short halogen Cl...O [3.003 (5) and 3.246 (4) Å] and Cl...Cl [3.452 (2) Å] contacts and aromatic C—H...Cl and C—H...O interactions link the molecules, resulting in chains propogating along [100]. The crystal structure also features π–π stacking interactions between aromatic units of the two independent molecules, with a centroid–centroid distance of 3.9264 (6) Å.

scholarly journals (Z)-5-(4-Bromophenyl)-3-{[(3,5-dichlorophenyl)amino]methylidene}furan-2(3H)-one

IUCrData ◽  
2020 ◽  
Vol 5 (7) ◽  
Author(s):  
Oksana A. Mayorova ◽  
Vyacheslav S. Grinev ◽  
Alevtina Yu. Yegorova
Keyword(s):  
Solid State ◽  
Title Compound ◽  
Crystal Packing ◽  
Large Cell ◽  
Monoclinic Space Group ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C17H10BrCl2NO2, crystallizes in the monoclinic space group C2/c with a large cell volume of 6207 (3) Å3. The asymmetric unit of the title compound investigated at 120 K contains two crystallographically independent molecules (Z′ = 2). Each molecule demonstrates slight non-planarity in the solid state and a Z-configuration for the exocyclic C=C bond. The crystal packing reveals the presence of π-π stacking interactions between the substituted benzene rings [centroid–centroid distances of 3.836 (5) Å, shift distances in the range 1.272–1.843 Å].

scholarly journals Diethyl 2,2′-(trisulfane-1,3-diyl)dibenzoate

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Khaled Boukebbous ◽  
El Adoui Laifa ◽  
Aimery De Mallmann ◽  
Mostafa Taoufik
Keyword(s):  
Title Compound ◽  
Starting Material ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Rotation Symmetry ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

The title compound, C18H18O4S3, was synthesized in the presence of chloridoauric acid from 3H-1,2-benzodithiole-3-thione as starting material. The asymmetric unit comprises one half of the molecule, the complete molecule being generated by the application of twofold rotation symmetry. The two benzene rings are inclined by 81.0 (2)°. In the crystal, slipped π–π stacking interactions are observed between the benzene rings of neighbouring molecules.

scholarly journals 2-[2-(2-Bromophenyl)-2-oxoethyl]-1λ6,2-benzothiazole-1,1,3-trione

2012 ◽  
Vol 68 (6) ◽  
pp. o1889-o1890 ◽  
Author(s):  
Nazia Sattar ◽  
Hamid Latif Siddiqui ◽  
Waseeq Ahmad Siddiqui ◽  
Muhammad Akram ◽  
Masood Parvez
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
The Other ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Pronounced Difference ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

The asymmetric unit of the title compound, C15H10BrNO4S, contains two different conformers in which the benzisothiazole rings are essentially planar, with r.m.s. deviations of 0.012 and 0.017 Å. The mean planes of the benzene rings form dihedral angles 70.49 (13) and 72.79 (11)° with the benzisothiazole rings. The orientation of the Br atoms in the two conformers exhibit the most pronounced difference, with opposing orientations in the two molecules. The crystal structure is stabilized by π–π interactions between the benzene rings of the benzisothiazole moieties of one molecule and bromobenzene rings of the other molecule, with distances between the ring centroids of 3.599 (3) and 3.620 (3) Å, respectively. The crystal packing is further consolidated by pairs of weak intermolecular C—H...O hydrogen bonds, which form inversion dimers.

scholarly journals 3,3′-Bis(chloromethyl)-4,4′-diethoxy-1,1′-biphenyl

2014 ◽  
Vol 70 (4) ◽  
pp. o387-o387
Author(s):  
Hager Trad ◽  
Mohamed Salah Belkhiria ◽  
Mustapha Majdoub
Keyword(s):  
Title Compound ◽  
Crystal Packing ◽  
The Other ◽  
Van Der Waals Interactions ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Atomic Displacements ◽  
Compound C ◽  
The Mean ◽  
Cl Atoms

The asymmetric unit of the title compound, C18H20Cl2O2, consists of a half-molecule, the other half being generated by an inversion center, located at the mid-point of the benzene–benzene bond. Except for the two Cl atoms, all other atoms of the compound are nearly coplanar, with the atomic displacements from the molecular mean plane ranging from 0.0037 (19) to 0.071 (2) Å. The two Cl atoms are intranspositions and are displaced with respect to the mean plane by 1.687 (2) and −1.693 (3) Å. The crystal packing is governed by van der Waals interactions.

scholarly journals Ethyl 1-phenyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-5-carboxylate

2012 ◽  
Vol 68 (6) ◽  
pp. o1864-o1865 ◽  
Author(s):  
Yeong Keng Yoon ◽  
Mohamed Ashraf Ali ◽  
Tan Soo Choon ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bonds ◽  
Ring System ◽  
The Other ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Benzimidazole Ring ◽  
Asymmetric Unit ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

The asymmetric unit of the title compound, C23H17F3N2O2, contains two molecules. In one of the molecules, the phenyl and triflouromethyl-substituted benzene rings form dihedral angles of 52.05 (8) and 33.70 (8)°, respectively, with the benzimidazole ring system, while the dihedral angle between them is 58.24 (10)°. The corresponding values in the other molecule are 58.40 (8), 25.90 (8) and 60.83 (10)°, respectively. In the crystal, molecules are linked into chains along [100] by C—H...O and C—H...N hydrogen bonds. Aromatic π–π stacking interactions [centroid–centroid distance = 3.6700 (12) Å] also occur.

scholarly journals 4-{[(E)-(4-Chlorophenyl)methylidene]amino}-3-{2-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,2,4-triazole-5(4H)-thione

2009 ◽  
Vol 65 (6) ◽  
pp. o1242-o1243 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Samuel Robinson Jebas ◽  
K. V Sujith ◽  
Balakrishna Kalluraya
Keyword(s):  
Hydrogen Bond ◽  
Crystal Packing ◽  
Triazole Ring ◽  
The Other ◽  
Dihedral Angles ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C21H23ClN4S, contains nine crystallographically independent molecules, labelledAtoI. The orientation of the 2-[4-(2-methylpropyl)phenyl]ethyl unit with respect to the rest of the molecule is significantly different in moleculesE,F,HandIcompared to the other independent molecules. The isobutyl group of moleculeBis disordered over two orientations, with occupancies of 0.764 (7) and 0.236 (7). The benzene rings of the chlorophenyl and methylpropylphenyl units form dihedral angles of 21.90 (11) and 71.47 (11)°, respectively, with the triazole ring in moleculeA[9.15 (11) and 80.37 (11)° inB, 7.14 (11) and 84.06 (11)° inC, 25.76 (11) and 76.59 (11)° inD, 13.68 (11) and 76.82 (10)° inE, 8.38 (11) and 69.77 (10)° inF, 30.34 (11) and 78.12 (11)° inG, 21.20 (11) and 71.58 (10)° inH, and 27.65 (11) and 65.23 (11)° inI]. In each independent molecule, a C—H...S hydrogen bond is observed. The crystal packing is stabilized by N—H...S and C—H...S hydrogen bonds, and by C—H...π interactions involving the methylpropylphenyl ring.

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