scholarly journals 2-(2-Hydroxyethylamino)-3-phenyl-1-benzofuro[3,2-d]pyrimidin-4(3H)-one dichloromethane hemisolvate

2009 ◽  
Vol 65 (6) ◽  
pp. o1330-o1330
Author(s):  
Zheng-Hong Zhang ◽  
Xiao-Ling Liu ◽  
Long-Ju Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Solvent Molecule ◽  
Maximum Deviation ◽  
Special Position ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Fused Ring ◽  
Phenyl Rings

In the title compound, C18H15N3O3·0.5CH2Cl2, the fused ring benzofuro[2,3-d]pyrimidine system is essentially planar [maximum deviation 0.029 (1) Å]. The planes of the pyrimidinone and phenyl rings are nearly perpendicular [dihedral angle = 87.50 (14)°]. The packing of the molecules in the crystal structure is governed mainly by intermolecular O—H...O and N—H...O hydrogen-bonding interactions and intermolecular π–π interactions between benzofuro[3,2-d]pyrimidine units [the interplanar distances areca3.4 and 3.5 Å, and the distances between adjacent ring centroids are in the range 3.64 (1)–3.76 (1) Å]. The dichloromethane solvent molecule lies on a special position.

scholarly journals Crystal structure of 4-methyl-N-[2-(piperidin-1-yl)ethyl]benzamide monohydrate

2015 ◽  
Vol 71 (5) ◽  
pp. o359-o360 ◽  
Author(s):  
B. K. Revathi ◽  
D. Reuben Jonathan ◽  
S. Sathya ◽  
K. Prathebha ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Solvent Molecule ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Water Solvent ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Benzene Rings

In the title compound, C15H22N2O·H2O, the dihedral angle between the planes of the piperidine and benzene rings is 31.63 (1)°. The piperidine ring adopts a chair conformation. The water solvent molecule is involved in interspecies O—H...O, O—H...N, N—H...O and weak C—H...O hydrogen-bonding interactions, giving rise to chains extending along [010].

scholarly journals Crystal structure of 3-(adamantan-1-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione

2015 ◽  
Vol 71 (2) ◽  
pp. o115-o116 ◽  
Author(s):  
Reem I. Al-Wabli ◽  
Ali A. El-Emam ◽  
Obaid S. Alroqi ◽  
C. S. Chidan Kumar ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Crystal Packing ◽  
Triazole Ring ◽  
Dimensional Structure ◽  
Maximum Deviation ◽  
Two Dimensional ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C18H20ClN3S, is a functionalized triazoline-3-thione derivative. The benzene ring is almost perpendicular to the planar 1,2,4-triazole ring [maximum deviation = 0.007 (1) Å] with a dihedral angle of 89.61 (5)° between them and there is an adamantane substituent at the 3-position of the triazolethione ring. In the crystal, N—H...S hydrogen-bonding interactions link the molecules into chains extending along thec-axis direction. The crystal packing is further stabilized by weak C—H...π interactions that link adjacent chains into a two-dimensional structure in thebcplane. The crystal studied was an inversion twin with a 0.50 (3):0.50 (3) domain ratio.

scholarly journals 7-Benzyl-3-(4-fluorophenyl)-2-propylamino-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one

2012 ◽  
Vol 68 (4) ◽  
pp. o1097-o1097 ◽  
Author(s):  
Hai-Jun Hu ◽  
Hong Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Compound C ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C25H25FN4OS, the thienopyrimidine fused-ring system is close to planar (r.m.s. deviation = 0.0089 Å), with a maximum deviation of 0.0261 (17) Å for the N atom adjacent to the benzene ring. This thienopyrimidine fused-ring system forms dihedral angles of 64.73 (3) and 81.56 (5)° with the adjacent benzyl and fluorophenyl rings, respectively. Intermolecular N—H...F and C—H...F hydrogen bonding, as well as C—F...π interactions [F...centroid = 3.449 (3) Å; C—F...centroid = 91.87 (15)°], help to stabilize the crystal structure.

scholarly journals Crystal structure of 4-(2-hydroxy-3-methoxybenzylamino)benzoic acid dimethylformamide monosolvate monohydrate

2019 ◽  
Vol 75 (5) ◽  
pp. 646-649
Author(s):  
Md. Serajul Haque Faizi ◽  
Saima Kamaal ◽  
Arif Ali ◽  
Musheer Ahmad ◽  
Irina A. Golenya
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzoic Acid ◽  
Layered Structure ◽  
Torsion Angle ◽  
Title Compound ◽  
Solvent Molecule ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Amine Molecule

The title compound, C15H15NO4·C3H7NO·H2O, a secondary amine molecule, is accompanied by one equivalent of water and one equivalent of dimethylformamide (DMF) as solvents. The molecule is non-planar, with a Caryl—CH2—NH—Caryl torsion angle of −66.3 (3)°. In the crystal, O—H...O and N—H...O hydrogen-bonding interactions between the amine molecules and the two types of solvent molecule result in the formation of a layered structure extending parallel to (010).

2,4,6-Trimethylpyridine-3,5-dicarbonitrile

2006 ◽  
Vol 62 (7) ◽  
pp. o2765-o2767
Author(s):  
Hong-Li Wang ◽  
Bin Zhang ◽  
Yi Dai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C10H9N3, is essently planar, except for the methyl H atoms. The asymmetric unit consists of two molecules. In the crystal structure, weak intramolecular C—H...N hydrogen-bonding interactions occur, linking the molecules into chains propagating along the a axis.

scholarly journals Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol

2020 ◽  
Vol 76 (4) ◽  
pp. 484-487
Author(s):  
Abhinav Raghuvanshi ◽  
Lena Knauer ◽  
Lydie Viau ◽  
Michael Knorr ◽  
Carsten Strohmann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Chemistry ◽  
Title Compound ◽  
Dihedral Angles ◽  
Orthorhombic Space Group ◽  
Bridging Ligand ◽  
Compound C ◽  
Unit Form ◽  
Phenyl Rings

The title compound, C22H22O2S2, 1, represents an example of an ortho-vanillin-based functionalized dithioether, which could be useful as a potential chelating ligand or bridging ligand for coordination chemistry. This dithioacetal 1 crystallizes in the orthorhombic space group Pbca. The phenyl rings of the benzyl groups and that of the vanillin unit form dihedral angles of 35.38 (6) and 79.77 (6)°, respectively. The crystal structure, recorded at 100 K, displays both weak intramolecular O—H...O and intermolecular O—H...S hydrogen bonding.

4-Oxo-2,3,5,6-tetraphenylpiperidine-1-carbonitrile ethyl acetate hemisolvate

2006 ◽  
Vol 62 (4) ◽  
pp. o1295-o1297
Author(s):  
J. Suresh ◽  
V. P. Alex Raja ◽  
S. Natarajan ◽  
S. Perumal ◽  
A. Mostad ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Ethyl Acetate ◽  
Title Compound ◽  
Chair Conformation ◽  
Compound C ◽  
Phenyl Rings ◽  
Space Filler ◽  
Acetate Molecule

In the title compound, C30H24N2O·0.5C4H8O2, the piperidone ring adopts the chair conformation and all the phenyl rings are equatorially oriented. The ethyl acetate molecule is present as a space filler and does not participate in the hydrogen-bonding network. The crystal structure is stabilized through C—H...N and C—H...O hydrogen bonds. No significant C—H...π and π–π interactions are observed.

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 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.

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