scholarly journals Crystal structure of (4-chlorophenyl)[2-(10-hydroxyphenanthren-9-yl)phenanthro[9,10-b]furan-3-yl]methanone

2014 ◽  
Vol 70 (11) ◽  
pp. 355-358
Author(s):  
L. U. Sajitha ◽  
M. Sithambaresan ◽  
Jomon P. Jacob ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Supramolecular Architecture ◽  
Intermolecular Hydrogen Bonding ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Donor Acceptor

In the title compound, C37H21ClO3, the dihedral angle between the two phenanthrene moieties is 57.79 (5)°. The furan and one of the phenanthrene groups are fused in an almost coplanar arrangement [dihedral angle = 5.14 (8)°] and the furan unit makes dihedral angles of 70.27 (11) and 57.58 (8)° with the planes of the phenyl and the second phenanthrene group, respectively. In the crystal, neighbouring molecules are connectedviatwo intermolecular hydrogen-bonding interactions (O—H...O and C—H...O) towards the carbonyl O atom with donor–acceptor distances of 2.824 (2) and 3.277 (3) Å, creating an inversion dimer. A non-classical C—H...Cl interaction [3.564 (2) Å] and three C—H...π interactions, with C...π distances of 3.709 (3), 3.745 (2) and 3.628 (3) Å, connect the molecules, forming a three-dimensional supramolecular architecture in the solid state.

scholarly journals Crystal structure of 2,3-diphenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one 1-oxide

2017 ◽  
Vol 73 (8) ◽  
pp. 1189-1191 ◽  
Author(s):  
Hemant P. Yennawar ◽  
Ryan Fox ◽  
Quentin J. Moyer ◽  
Ziwei Yang ◽  
Lee J. Silverberg
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Group ◽  
Dihedral Angles ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Thiazine Ring

In the racemic title compound, C20H15NO2S, the planes of the two phenyl substituents form dihedral angles of 48.97 (15) and 69.26 (15)° with that of the fused benzene ring of the parent benzothiazine ring, while the heterocyclic thiazine ring exhibits a screw-boat pucker. The O atom on the S atom of the ring is pseudo-axial on the thiazine ring and trans to the 2-phenyl group. In the crystal, molecules are arranged in layers in the ac plane, the layers being linked across b through intermolecular C—H...O hydrogen-bonding interactions.

scholarly journals 2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N-(2-fluorobenzyl)acetamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2470-o2471 ◽  
Author(s):  
Matloob Ahmad ◽  
Hamid Latif Siddiqui ◽  
Naveed Ahmad ◽  
Sana Aslam ◽  
Masood Parvez
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Chair Conformation ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Hydrogen Bonding Interactions ◽  
Thiazine Ring ◽  
The Mean ◽  
Title Molecule

In the title molecule, C20H19FN4O3S, the heterocyclic thiazine ring adopts a half-chair conformation with the S atom displaced by 0.668 (4) Å from the mean plane formed by the remaining ring atoms. The mean planes of the benzene and pyrazole rings are inclined with respect to each other at a dihedral angle of 17.4 (3)°. The acetamide chain (O/N/C/C/C) linking the pyrazole and 2-fluorobenzyl rings is essentially planar (r.m.s. deviation = 0.030 Å) and forms dihedral angles with the mean planes of these rings of 78.8 (2) and 78.89 (14)°, respectively. The crystal structure is stabilized by N—H...O and C—H...O hydrogen-bonding interactions, resulting in a six-membered ring with anR21(6) motif, while C—H...O and C—H...F hydrogen-bonding interactions result in chains of molecules lying along thecaxis in a zigzag fashion.

scholarly journals Crystal structure of 3-benzamido-1-(4-nitrobenzyl)quinolinium trifluoromethanesulfonate

2016 ◽  
Vol 72 (5) ◽  
pp. 747-750
Author(s):  
Mariana Nicolas-Gomez ◽  
Iván J. Bazany-Rodríguez ◽  
Eduardo Plata-Vargas ◽  
Simón Hernández-Ortega ◽  
Alejandro Dorazco-González
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Organic Cations ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Group Interactions ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Phenyl Rings ◽  
Supramolecular Chains

In the title compound, C23H18N3O3+·CF3SO3−, the asymmetric unit contains two crystallographically independent organic cations with similar conformations. Each cation shows a moderate distortion between the planes of the amide groups and the quinolinium rings with dihedral angles of 14.90 (2) and 31.66 (2)°. The quinolinium and phenyl rings are slightly twisted with respect to each other at dihedral angles of 6.99 (4) and 8.54 (4)°. The trifluoromethanesulfonate anions are linked to the organic cationsviaN—H...O hydrogen-bonding interactions involving the NH amide groups. In the crystal, the organic cations are linked by weak C—H...O(nitro group) interactions into supramolecular chains propagating along theb-axis direction.

scholarly journals Crystal structure of 5,15-dihexyl-5,15-dihydrobenzo[2,1-b:4,3-c′]dicarbazole hexane 0.375-solvate

2018 ◽  
Vol 74 (11) ◽  
pp. 1605-1608
Author(s):  
Dingchao Zhang ◽  
Longqiang Shi ◽  
Zhi Liu ◽  
Li Li ◽  
Zhenhao Hu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Solvent Molecule ◽  
Dihedral Angles ◽  
Monoclinic Space Group ◽  
Positional Disorder ◽  
Left Handed ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
The Right

The title compound, C38H40N2·0.375C6H14, crystallizes in the monoclinic space group P21/c and has a host–guest structure with the helicene molecules forming a porous structure and molecules of hexane inserted into the holes. The dihedral angles between the two carbazole sections of the right- and left-handed helicenes are 27.44 (3) and 25.63 (3)°, respectively. There are no classical π–π interactions or hydrogen-bonding interactions present between adjacent molecules in the crystal structure. The hexane solvent molecule shows positional disorder.

scholarly journals Crystal structures of chlorido[dihydroxybis(1-iminoethoxy)]arsanido-κ3 N,As,N′]platinum(II) and of a polymorph of chlorido[dihydroxybis(1-iminopropoxy)arsanido-κ3 N,As,N′]platinum(II)

2020 ◽  
Vol 76 (2) ◽  
pp. 180-185
Author(s):  
Nina R. Marogoa ◽  
D.V. Kama ◽  
Hendrik G. Visser ◽  
M. Schutte-Smith
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Donor Ligands ◽  
Intermolecular Hydrogen Bonding ◽  
Π Interactions ◽  
Hydrogen Bonding Interactions ◽  
Oxygen Donor ◽  
Dimensional Network

Each central platinum(II) atom in the crystal structures of chlorido[dihydroxybis(1-iminoethoxy)arsanido-κ3 N,As,N′]platinum(II), [Pt(C4H10AsN2O4)Cl] (1), and of chlorido[dihydroxybis(1-iminopropoxy)arsanido-κ3 N,As,N′]platinum(II), [Pt(C6H14AsN2O4)Cl] (2), is coordinated by two nitrogen donor atoms, a chlorido ligand and to arsenic, which, in turn, is coordinated by two oxygen donor ligands, two hydroxyl ligands and the platinum(II) atom. The square-planar and trigonal–bipyramidal coordination environments around platinum and arsenic, respectively, are significantly distorted with the largest outliers being 173.90 (13) and 106.98 (14)° for platinum and arsenic in (1), and 173.20 (14)° and 94.20 (9)° for (2), respectively. One intramolecular and four classical intermolecular hydrogen-bonding interactions are observed in the crystal structure of (1), which give rise to an infinite three-dimensional network. A similar situation (one intramolecular and four classical intermolecular hydrogen-bonding interactions) is observed in the crystal structure of (2). Various π-interactions are present in (1) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.7225 (7) Å, and between the centroids of five-membered (Pt, As, C, N, O) rings of neighbouring molecules with distances of 3.7456 (4) and 3.7960 (6) Å. Likewise, weak π-interactions are observed in (2) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.8213 (2) Å, as well as between the Cl atom and the centroid of a symmetry-related five-membered ring with a distance of 3.8252 (12) Å. Differences between (2) and the reported polymorph [Miodragović et al. (2013). Angew. Chem. Int. Ed. 52, 10749–10752] are discussed.

scholarly journals Crystal structure of 5,5′-bis(dimethylamino)-N,N′-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide)

2015 ◽  
Vol 71 (12) ◽  
pp. o959-o960 ◽  
Author(s):  
Toyketa V. Horne ◽  
Syed A. Haque ◽  
Adrianne Barton ◽  
Md. Alamgir Hossain
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Tertiary Amine ◽  
Title Compound ◽  
Functional Group ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Acceptor Atom ◽  
Dansyl Derivatives

In the title compound, C29H37N5O4S2, two arms substituted with dansyl derivatives are connected to a central tertiary amine, where the dihedral angle between the planes of two dansyl units is 56.39 (4)°. Each arm contains a sulfonamide functional group and both N—H groups in the compound are pointed to the same side. The central part of the molecule is disordered over three sets of sites with a refined occupancy ratio of 0.547 (4):0.328 (4):0.125 (3). No intramolecular π–π or hydrogen-bonding interactions are observed. In the crystal, molecules are linkedviapairs of N—H...O interactions involving the same acceptor atom, forming inversion dimers. In addition, C—H...O interactions exist between molecules, providing further stabilization of dimers.

scholarly journals 1,1′,2,2′-Tetramethyl-3,3′-(4-methoxybenzylidene)di-1H-indole

2009 ◽  
Vol 65 (6) ◽  
pp. o1332-o1332
Author(s):  
Cai-Li Zhang ◽  
Ping-Ping Ye ◽  
Zhi-Qiang Du
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Indole Ring ◽  
Ring Systems ◽  
Compound C

The title compound, C28H28N2O, was prepared by condensation of 1,2-bimethylindole and 4-methoxybenzaldehyde. In the molecular structure, the plane of the non-fused benzene ring is twisted with respect to the planes of the two indole ring systems, exhibiting dihedral angles of 72.04 (7) and 72.24 (7)°, while the planes of the two indole ring systems are oriented at a dihedral angle of 87.05 (5)°. Neither hydrogen bonding nor π–π stacking is observed in the crystal structure.

scholarly journals 3-(2-Pyridyl)-5-(4-pyridyl)-4-(p-tolyl)-1H-1,2,4-triazole

2009 ◽  
Vol 65 (6) ◽  
pp. o1225-o1225
Author(s):  
Lu-Tong Yuan ◽  
Hai Zhang ◽  
Zuo-Xiang Wang ◽  
Zhi-Rong Qu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Π Stacking ◽  
Centroid Distance

In the molecule of the title compound, C19H15N5, the dihedral angles formed by the plane of the triazole ring with those of the 2-pyridyl, 4-pyridyl andp-tolyl rings are 28.12 (10), 34.62 (10) and 71.43 (9)°, respectively. The crystal structure is consolidated by C—H...π hydrogen-bonding interactions and by π–π stacking interactions, with a centroid–centroid distance of 3.794 (4) Å.

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.

scholarly journals (Z)-2-(5-Chloro-2-oxoindolin-3-ylidene)-N-methylhydrazinecarbothioamide

2012 ◽  
Vol 68 (4) ◽  
pp. o964-o965 ◽  
Author(s):  
Amna Qasem Ali ◽  
Naser Eltaher Eltayeb ◽  
Siang Guan Teoh ◽  
Abdussalam Salhin ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Hydrogen Bonding Interaction ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Bonding Interaction ◽  
A Chain ◽  
Graph Sets

In the title compound, C10H9ClN4OS, an intramolecular N—H...O hydrogen-bonding interaction and an N—H...N interaction generate ring motifs [graph setsS(6) andS(5), respectively]. In the crystal, molecules form a chain through N—H...O hydrogen bonds, and these are extended by N—H...S hydrogen-bonding interactions into an infinite three-dimensional network. The crystal structure also exhibits weak C—H...π interactions.

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