scholarly journals 2,3-Diphenyl-1,3-thiazolidin-4-one

2014 ◽  
Vol 70 (8) ◽  
pp. o847-o847 ◽  
Author(s):  
Hemant P. Yennawar ◽  
John Tierney ◽  
Lee J. Silverberg
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
The Other ◽  
Chiral Molecule ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Thiazine Ring

The title compound, C15H13NOS, is a chiral molecule crystallized as a racemate, with two molecules in the asymmetric unit. In each of the molecules, the five-membered thiazine ring has an envelope conformation, with the S atom forming the flap. In one molecule, the angle between the two phenyl-ring planes is 82.77 (7)°, while in the other it is 89.12 (6)°. In the crystal, molecules are linked into chains along theb-axis direction by C—H...O hydrogen bonds.

scholarly journals 1-Ethyl-4-[1-(1-phenylethylidene)hydrazin-2-ylidene]-3,4-dihydro-1H-2λ6,1-benzothiazine-2,2-dione

2012 ◽  
Vol 68 (6) ◽  
pp. o1927-o1927
Author(s):  
Muhammad Shafiq ◽  
Islam Ullah Khan ◽  
Muhammad Nadeem Arshad ◽  
Iftikhar Hussain Bukhari ◽  
Ejaz
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
The Other ◽  
Double Bonds ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Thiazine Ring

In the title compound, C18H19N3O2S, the thiazine ring adopts an envelope conformation, with the S atom displaced by 0.732 (1) Å from the other atoms of the ring. The phenyl ring is oriented at a dihedral angle of 79.33 (7)° with respect to the fused benzene ring. The conformations about the two double bonds in the R 2C=N—N=C(CH3)Ar grouping are Z and E, respectively. In the crystal, inversion dimers linked by pairs of C—H...O interactions generate R 2 2(8) and R 2 2(12) loops, as parts of infinite chains along the a-axis direction.

scholarly journals Crystal structure of tetraethyl 27,30-dioxo-7,12,20,25-tetra-tert-butyl-3,16-dioxa-9,22,28,31-tetrathiaheptacyclo[21.3.1.11,5.14,8.110,14.114,18.117,21]dotriaconta-4,6,8(29),10,12,17,19,21(32),23,25-decaene-2,2,15,15-tetracarboxylate

2015 ◽  
Vol 71 (10) ◽  
pp. o778-o779
Author(s):  
Mehmet Akkurt ◽  
Jerry P. Jasinski ◽  
Shaaban K. Mohamed ◽  
Omran A. Omran ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Tert Butyl ◽  
Envelope Conformation ◽  
Compound C ◽  
A Chain

The asymmetric unit of the title compound, C54H64O12S4, consists of one half of the molecule, which is located on an inversion centre. The heterocyclic six-membered ring adopts a distorted envelope conformation with the spiro C atom as the flap. In the crystal, molecules are linked by weak C—H...O hydrogen bonds with anR22(14) motif, forming a chain along theb-axis direction.

scholarly journals Crystal structure ofmeso-3,3′-(1,4-phenylene)bis(2-phenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one)

2018 ◽  
Vol 74 (10) ◽  
pp. 1497-1499
Author(s):  
Hemant P. Yennawar ◽  
Quentin J. Moyer ◽  
Lee J. Silverberg
Keyword(s):  
Crystal Structure ◽  
Carbon Atom ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Hydrophobic Interactions ◽  
The Other ◽  
Asymmetric Unit ◽  
Phenyl Rings ◽  
Thiazine Ring

The crystal structure of the title compound –meso-C26H24N2O2S2with two stereocenters – has half the molecule in the asymmetric unit with the other half generated by a crystallographic center of inversion. The thiazine ring is in a conformation that is between half-chair and envelope [θ = 52.51 (17)°]. The phenyl ring on the 2-carbon atom of the thiazine ring is pseudo-axial. The central phenyl ring of the molecule is close to orthogonal to the phenyl rings on either side with an angle of 76.85 (11)° between those planes. In the crystal, pairwise, weak C—H...O hydrogen bonds between the central phenyl ring and the oxygen atoms of neighboring molecules result in continuous strips propagating along thea-axis direction. Hydrophobic interactions of the C—H...π type are also observed.

scholarly journals Tetrakis(2,6-dimethylpyridinium) dihydrogen decavanadate dihydrate

2014 ◽  
Vol 70 (6) ◽  
pp. m225-m226 ◽  
Author(s):  
Erik Rakovský ◽  
Lukáš Krivosudský
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
The Other ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
Supramolecular Chain

The structure of the title compound, (C7H10N)4[H2V10O28]·2H2O, was solved from a non-merohedrally twinned crystal (ratio of twin components ∼0.6:0.4). The asymmetric unit consists of one-half decavanadate anion (the other half completed by inversion symmetry), two 2,6-dimethylpyridinium cations and one water molecule of crystallization. In the crystal, the components are connected by strong N—H...O and O—H...O hydrogen bonds, forming a supramolecular chain along theb-axis direction. There are weak C—H...O interactions between the chains.

scholarly journals Crystal structure of 2-isopropyl-5,7′-dimethyl-1′,3′,3a',6′,8a',8b'-hexahydrospiro[cyclohexane-1,6′-furo[3,4-d]imidazo[1,5-b]isoxazol]-8′(7′H)-one

2016 ◽  
Vol 72 (8) ◽  
pp. 1150-1152
Author(s):  
Heithem Abda ◽  
Khaireddine Ezzayani ◽  
Kaiss Aouadi ◽  
Taha Guerfel ◽  
Sebastien Vidal ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
The Other ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C17H28N2O3, the isoxazolidine ring adopts an envelope conformation with the O atom deviating from the mean plane of the other four ring atoms by 0.617 (1) Å. In the crystal, molecules are linkedviaweak C—H...O hydrogen bonds, forming chains which extend along theb-axis direction.

scholarly journals Ethyl 5-oxo-4-phenyl-5,6-dihydro-4H-1,3,4-oxadiazine-2-carboxylate

2014 ◽  
Vol 70 (6) ◽  
pp. o661-o661
Author(s):  
K. Shubakara ◽  
Chandra ◽  
N. Srikantamurthy ◽  
M. Mahendra ◽  
K. B. Umesha
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Axis Direction ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of title compound, C12H12N2O4, consists of two independent molecules. In each molecule, the oxadiazine ring has a flattened envelope conformation with the methylene C atom as the flap atom, and the ethoxycarbonyl unit is in asyn-periplanarconformation with respect to the oxadiazine ring as indicated by O—C—C=O torsion angles of 1.9 (4) and 2.5 (4)°. The dihedral angles between the mean plane of the oxadiazine ring and the phenyl ring are 80.07 (13) and 42.98 (14)°. In the crystal, molecules are linked by C—H...O hydrogen bonds and stacked in a double-column along thea-axis direction.

scholarly journals 3,4-Dihydro-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazin-3-ol

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Latifa El Ouasif ◽  
Mostafa El Ghoul ◽  
Redouane Achour ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Benzimidazole Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Thiazine Ring

In the title compound, C10H10N2OS, the benzimidazole ring system is almost planar (r.m.s. deviation = 0.007 Å), whereas the heterocyclic six-membered thiazine ring has an envelope conformation, with the hydroxy-substituted C atom as the flap. In the crystal, molecules are linked by O—H...N hydrogen bonds to form zigzag chains running along the b-axis direction. The chains are linked by C—H...O hydrogen bonds and C—H...π interactions, forming layers parallel to the bc plane.

scholarly journals (1Z,2E)-N′-{2-Chloro-1-methyl-2-[2-(4-methylphenyl)hydrazin-1-ylidene]ethylidene}-4-methoxybenzohydrazide

2012 ◽  
Vol 68 (4) ◽  
pp. o926-o926 ◽  
Author(s):  
Hatem A. Abdel-Aziz ◽  
Hazem A. Ghabbour ◽  
Madhukar Hemamalini ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
The Other ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Axis Direction ◽  
Compound C ◽  
Benzene Rings

The asymmetric unit of the title compound, C18H19ClN4O2, contains two molecules, in which the dihedral angles between the benzene rings are 43.60 (12) and 58.65 (13)°. The hydrazine N atoms are twisted slightly out of the planes of the tolyl and methoxybenzene rings: the C—C—N—N and N—N—C—C torsion angles are 171.1 (2) and −174.4 (2)°, respectively, for one molecule and −177.4 (2) and −170.6 (2)°, respectively, for the other. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds into chains propagating along theb-axis direction.

(3R,4R)-(–)-3-Hydroxymethyl-4-phenyl-2-o-toluoyl-1,2,3,4-tetrahydroisoquinoline

2006 ◽  
Vol 62 (5) ◽  
pp. o1774-o1776 ◽  
Author(s):  
Andrzej Gzella ◽  
Maria Chrzanowska ◽  
Agnieszka Dreas ◽  
Michał S. Kaczmarek ◽  
Zenon Woźniak
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Title Compound ◽  
Phenyl Ring ◽  
Heterocyclic Ring ◽  
Hydroxymethyl Group ◽  
Envelope Conformation ◽  
Compound C ◽  
The Absolute

The absolute configuration of the title compound, C24H23NO2, has been confirmed as 3R,4R. The hydroxymethyl group and phenyl ring at the asymmetric C atoms exhibit α and β orientations, respectively, and the non-planar heterocyclic ring of the tetrahydroisoquinoline system adopts an envelope conformation. The crystal structure is stabilized through hydrogen bonds.

scholarly journals {(3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-3-yl}methyl 4-methylbenzenesulfonate

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Qing-Shuang Ma ◽  
Xiao-Guang Wang ◽  
Lei Xu ◽  
Sun Bin ◽  
Dao-Hong Xia ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Best Fit

In the title compound, C21H21F2N3O4S, the tetrahydrofuran ring adopts an envelope conformation with the β-C atom positioned at the flap. The triazole, difluorophenyl and tolyl rings of the various substituents on the tetrahydrofuran ring are inclined at 77.88 (12), 83.81 (10) and 81.00 (10)°, respectively, to the best-fit mean plane through the five atoms of the tetrahydrofuran ring. In the crystal, weak C—H...O and C—H...F hydrogen bonds link the molecules into a three-dimensional structure, with molecules stacked along thea-axis direction.

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