scholarly journals N-Benzyl-4-hydroxy-2-methyl-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1921-o1921 ◽  
Author(s):  
Farhana Aman ◽  
Waseeq Ahmad Siddiqui ◽  
Adnan Ashraf ◽  
Hamid Latif Siddiqui ◽  
Masood Parvez
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Aromatic Rings ◽  
Dimensional Network ◽  
Thiazine Ring ◽  
The Mean ◽  
Title Molecule

In the title molecule, C17H16N2O4S, the heterocyclic thiazine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.546 (4) and 0.281 (4) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The molecular structure is stabilized by an intramolecular O—H...O hydrogen bond. The two aromatic rings are inclined to one another by 42.32 (11)°. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers. The dimers are linked via a series of C—H...O interactions, leading to the formation of a three-dimensional network.

scholarly journals 4-Hydroxy-2-methyl-1,1-dioxo-N-phenyl-2H-1λ6,2-benzothiazine-3-carboxamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1790-o1790
Author(s):  
Farhana Aman ◽  
Waseeq Ahmad Siddiqui ◽  
Adnan Ashraf ◽  
Hamid Latif Siddiqui ◽  
Masood Parvez
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Chair Conformation ◽  
Benzene Rings ◽  
Thiazine Ring ◽  
The Mean ◽  
Title Molecule

In the title molecule, C16H14N2O4S, the thiazine ring adopts a twist chair conformation with the N and adjacent C atom displaced by 0.966 (3) and 0.386 (4) Å, respectively, on the same side of the mean plane formed by the remaining ring atoms. The dihedral angle between the mean planes of the benzene rings is 37.65 (10)°. The molecular structure features an intramolecular O—H...O hydrogen bond, which generates an S(6) ring. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds.

scholarly journals (6Z)-4-Bromo-6-{[(2-hydroxyethyl)amino]methylidene}cyclohexa-2,4-dien-1-one

2012 ◽  
Vol 68 (4) ◽  
pp. o1020-o1020
Author(s):  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Antar A. Abd Elhamid ◽  
Kuldip Singh ◽  
Herman Potgieter
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Bond Forming ◽  
Dimensional Network ◽  
Title Molecule

The title molecule, C9H10BrNO2, excluding methylene H atoms and the C—OH group, is essentially planar, with a maximum deviation of 0.037 (2) Å for the N atom. The N—C—C—O torsion angle is −63.1 (3)°. The molecular structure is stabilized by a weak intramolecular N—H...O(carbonyl) hydrogen bond, forming anS(6) motif. In the crystal, molecules are linked by O—H...O and C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals 1-(4-Chlorophenyl)-2-[4-hydroxy-3-(3-methoxybenzoyl)-1,1-dioxo-2H-1λ6,2-benzothiazin-2-yl]ethanone

2012 ◽  
Vol 68 (4) ◽  
pp. o1058-o1059
Author(s):  
Hamid Latif Siddiqui ◽  
Matloob Ahmad ◽  
Salman Gul ◽  
Chaudhary Muhammad Ashraf ◽  
Masood Parvez
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Thiazine Ring ◽  
The Mean ◽  
Title Molecule

In the title molecule, C24H18ClNO6S, the heterocyclic thiazine ring adopts a half-chair conformation with the S and N atoms displaced by 0.406 (5) and 0.444 (5) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The methoxybenzoyl and the chlorophenyl rings lie roughly parallel to each other, with a dihedral angle between the mean planes of these rings of 8.86 (10)°. The molecular structure is consolidated by intramolecular O—H...O and C—H...O interactions and the crystal packing is stabilized by intermolecular O—H...O and C—H...Cl hydrogen bonds.

scholarly journals Crystal structure of 4-hydroxy-3-methoxybenzaldehyde 4-methylthiosemicarbazone methanol monosolvate

2015 ◽  
Vol 71 (5) ◽  
pp. o313-o314
Author(s):  
Adriano Bof de Oliveira ◽  
Johannes Beck ◽  
Christian Landvogt ◽  
Bárbara Regina Santos Feitosa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Aromatic Rings ◽  
Dimensional Network ◽  
The Mean

In the title solvate, C15H15N3O2S·CH3OH, the thiosemicarbazone molecule is approximately planar; the maximum deviation from the mean plane is 0.4659 (14) Å and the dihedral angle between the aromatic rings is 9.83 (8)°. This conformation is supported by an intramolecular N—H...N hydrogen bond. In the crystal, the thiosemicarbazone molecules are linked into dimers by pairs of N—H...S hydrogen bonds, thereby generatingR22(8) loops. The methanol solvent molecule bonds to the thiosemicarbazone molecule through a bifurcated O—H...(O,O) hydrogen bond and also accepts an O—H...O link from the thiosemicarbazone molecule. Together, these links generate a three-dimensional network.

scholarly journals (2-Bromophenyl)(4-hydroxy-1,1-dioxo-2H-1,2-benzothiazin-3-yl)methanone

2012 ◽  
Vol 68 (4) ◽  
pp. o1247-o1247 ◽  
Author(s):  
Nazia Sattar ◽  
Hamid Latif Siddiqui ◽  
Waseeq Ahmad Siddiqui ◽  
Muhammad Akram ◽  
Masood Parvez
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Thiazine Ring ◽  
The Mean ◽  
Title Molecule

In the title molecule, C15H10BrNO4S, the heterocyclic thiazine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.554 (7) and 0.198 (8) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The molecular structure is consolidated by intramolecular O—H...O interactions and the crystal packing features N—H...O and C—H...O hydrogen bonds.

scholarly journals 2-[2-(3-Chlorophenyl)-2-oxoethyl]-4-hydroxy-3-(3-methoxybenzoyl)-2H-1λ6,2-benzothiazine-1,1-dione

2012 ◽  
Vol 68 (4) ◽  
pp. o980-o981
Author(s):  
Hamid Latif Siddiqui ◽  
Matloob Ahmad ◽  
Salman Gul ◽  
Waseeq Ahmad Siddiqui ◽  
Masood Parvez
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Benzene Rings ◽  
Thiazine Ring ◽  
The Mean ◽  
Title Molecule

In the title molecule, C24H18ClNO6S, the heterocyclic thiazine ring adopts a half chair conformation with the S and N atoms displaced by 0.318 (3) and 0.387 (3) Å, respectively, on the opposite sides from the mean plane formed by the remaining ring atoms. The benzene rings of the benzothiazin unit and methoxybenzoyl group are more or less coplanar, the dihedral angle between the mean planes of these rings being 12.37 (10)° while the chlorophenyl ring is inclined at 81.87 (4) and 73.30 (5)°, respectively, to these rings. The molecular structure is consolidated by intramolecular O—H...O and C—H...N interactions and the crystal packing is stabilized by weak intermolecular C—H...O hydrogen bonds.

scholarly journals 3-[Hydroxy(3-methoxyphenyl)methylidene]-2-(2-oxo-2-phenylethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-1,1,4-trione

2012 ◽  
Vol 68 (4) ◽  
pp. o978-o979
Author(s):  
Hamid Latif Siddiqui ◽  
Matloob Ahmad ◽  
Salman Gul ◽  
Waseeq Ahmad Siddiqui ◽  
Masood Parvez
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Benzene Rings ◽  
Thiazine Ring ◽  
The Mean ◽  
Title Molecule

In the title molecule, C24H19NO6S, the heterocyclic thiazine ring adopts a half-chair conformation with the S and N atoms displaced by 0.180 (5) and 0.497 (5) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The benzene rings of the benzothiazine unit and the methoxyphenyl group are almost coplanar, with the dihedral angle between the mean planes of these rings being 5.9 (2)°, while the benzene ring of the 2-oxo-2-phenylethyl group is inclined at 79.68 (11) and 81.01 (10)°, respectively, to these rings. The molecular structure is consolidated by intramolecular O—H...O and C—H...N interactions, and the crystal packing is stabilized by weak C—H...O hydrogen bonds.

scholarly journals (Z)-3-(1-Chloroprop-1-enyl)-2-methyl-1-phenylsulfonyl-1H-indole

2013 ◽  
Vol 69 (12) ◽  
pp. o1781-o1781 ◽  
Author(s):  
M. Umadevi ◽  
V. Saravanan ◽  
R. Yamuna ◽  
A. K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Indole Ring ◽  
Compound C ◽  
Dimensional Network ◽  
A Chain

In the title compound, C18H16ClNO2S, the indole ring system forms a dihedral angle of 75.07 (8)° with the phenyl ring. The molecular structure is stabilized by a weak intramolecular C—H...O hydrogen bond. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming a chain along [10-1]. C—H...π interactions are also observed, leading to a three-dimensional network.

scholarly journals Crystal structure of 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-3-phenoxyazetidin-2-one

2015 ◽  
Vol 71 (1) ◽  
pp. o12-o13
Author(s):  
Sevim Türktekin Çelikesir ◽  
Mehmet Akkurt ◽  
Aliasghar Jarrahpour ◽  
Habib Allah Shafie ◽  
Ömer Çelik
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
Lactam Ring

In the title compound, C22H18N2O5, the central β-lactam ring (r.m.s. deviation = 0.002 Å) makes dihedral angles of 64.21 (14), 82.35 (12) and 20.66 (13)° with the phenyl ring and the nitro- and methoxybenzene rings, respectively. The molecular structure is stabilized by an intramolecular C—H...O hydrogen bond. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming slabs lying parallel to (111). The slabs are linkedviaC—H...π interactions, forming a three-dimensional network.

scholarly journals 3-(3-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran

2014 ◽  
Vol 70 (3) ◽  
pp. o309-o309 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Interplanar Distance ◽  
Ring System ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
The Mean

In the title compound, C21H21BrO2S, the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.178 (2) Å] of the benzofuran ring system and the mean plane of the 3-bromophenyl ring is 86.52 (6)°. In the crystal, molecules are linked by weak C—H...O and C—H...π hydrogen bonds, and by a slipped π–π interaction between the furan rings of neighbouring molecules [centroid–centroid distance = 3.518 (3) Å, interplanar distance = 3.471 (3) Å and slippage = 0.573 (3) Å], resulting in a three-dimensional network.

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