scholarly journals (2Z)-2-Benzylidene-4-octadecyl-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUCrData ◽  
2017 ◽  
Vol 2 (5) ◽  
Author(s):  
Nada Kheira Sebbar ◽  
Mohamed Ellouz ◽  
Sanae Lahmidi ◽  
Fouzia Hlimi ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Extended Conformation ◽  
Compound C ◽  
Thiazine Ring ◽  
Fully Extended Conformation

The octadecyl chain in the title compound, C33H47NOS, is in the `fully extended' conformation. A puckering analysis of the thiazine ring was performed. The molecules form micellar blocks in the crystal by intercalation of the extended octadecyl chains and association of the dihydro benzothiazine units through C—H...O hydrogen bonds. These blocks are associated through intercalation of the pendant phenyl groups which reside on the outer edges of each block.

scholarly journals Crystal structure of (E)-4-{[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl}-3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole

2014 ◽  
Vol 70 (12) ◽  
pp. o1246-o1247 ◽  
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Hussein M. S. El-Kashef ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Extended Conformation ◽  
Compound C ◽  
Benzene Rings

The title compound, C21H17N7O4, is in an `extended' conformation aided by an intramolecular N—H...O hydrogen bond. The pyrazole ring makes dihedral angles of 29.17 (6), 65.47 (4) and 9.91 (7)°, respectively, with the phenyl, pyrrole and benzene rings. In the crystal, molecules are connected by pairs of N—H...O and C—H...O hydrogen bonds, forming inversion dimers which associate into ribbons running along thebaxis through complementary C—H...O interactions.

4-Ethyl-4-hydroxy-2-phenyl-5,6-dihydro-4H-1,3-thiazine

2006 ◽  
Vol 62 (5) ◽  
pp. o1666-o1668 ◽  
Author(s):  
Mamoru Koketsu ◽  
Masahiro Ebihara ◽  
Hideharu Ishihara
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Compound C ◽  
Thiazine Ring

In the title compound, C12H15NOS, the thiazine ring adopts a sofa conformation. Intermolecular N—H...O hydrogen bonds link centrosymmetrically related molecules into discrete pairs.

scholarly journals Crystal structure of ethyl 4-(2,4-dichlorophenyl)-2-methyl-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carboxylate

2015 ◽  
Vol 71 (5) ◽  
pp. o306-o307 ◽  
Author(s):  
T. Sankar ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
K. Gunasekaran
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Pyrimidine Ring ◽  
Boat Conformation ◽  
Carboxylate Group ◽  
Extended Conformation ◽  
Compound C

In the title compound, C20H16Cl2N2O2S, the pyrimidine ring has a screw-boat conformation. The attached dichlorophenyl ring is twisted at an angle of 89.29 (13)° with respect to the pyrimidine ring mean plane. The benzothiazole group is approximately planar (r.m.s. deviation = 0.008 Å) and inclined to the pyrimidine ring mean plane by 3.04 (10)°. The carboxylate group assumes an extended conformation with respect to the pyrimidine ring, which can be seen from the O=C—O—C torsion angle of 3.2 (4) °. In the crystal, molecules are linkedviaC—H...O and C—H...N hydrogen bonds, forming slabs lying parallel to (100).

scholarly journals Ethyl 2-(4-chloro-3-methylphenoxy)acetate

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
Yasser Hussein Issa Mohammed ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
Shaukath Ara Khanum
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Extended Conformation ◽  
Compound C

In the title compound, C11H13ClO3, the pendant ethyl chain has an extended conformation and lies in the plane of the substituted benzene ring; the r.m.s. deviation of the 15 non-H atoms comprising the molecule is 0.002 Å. The crystal structure features inversion-related dimers linked by pairs of benzene–carbonyl C—H...O hydrogen bonds, generatingR22(16) loops.

scholarly journals Crystal structure of (Z)-2-benzylidene-4-methyl-2H-benzo[b][1,4]thiazin-3(4H)-one

2015 ◽  
Vol 71 (11) ◽  
pp. o862-o863 ◽  
Author(s):  
Mohamed Ellouz ◽  
Nada Kheira Sebbar ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Boat Conformation ◽  
Compound C ◽  
Thiazine Ring

In the title compound, C16H13NOS, the 1,4-thiazine ring displays a screw-boat conformation. The conformation about the ethene bond [1.344 (2) Å] isZ. The plane of the fused benzene ring makes a dihedral angle of 58.95 (9)° with the pendent phenyl ring, indicating a twisted conformation in the molecule. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers.

scholarly journals N-Hexyl-3,4-dihydroxybenzamide

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
Tetsuji Moriguchi ◽  
Ryota Kamoto ◽  
Venkataprasad Jalli ◽  
Akihiko Tsuge
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Π Interactions ◽  
Extended Conformation ◽  
Compound C ◽  
Hydroxy Groups

In the title compound, C13H19NO3, the hexyl chain has en extended conformation and its mean plane is inclined to the benzene ring by 3.29 (10)°. There is a short O—H...O contact in the molecule involving the adjacent hydroxy groups. In the crystal, molecules are linkedviaO—H...O and N—H...O hydrogen bonds, forming slabs parallel to (001). Within the slabs, there are also C—H...O hydrogen bonds and C—H...π interactions present.

scholarly journals (E)-3-(9-Hexyl-9H-carbazol-3-yl)acrylic acid

2014 ◽  
Vol 70 (8) ◽  
pp. o884-o884
Author(s):  
Wan Sun ◽  
Wen-Mo Liu ◽  
Sheng-Li Li
Keyword(s):  
Hydrogen Bonds ◽  
Acrylic Acid ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Maximum Deviation ◽  
Axis Direction ◽  
Extended Conformation ◽  
Compound C ◽  
Supramolecular Chains

In the title compound, C21H23NO2, the hexyl group adopts an extended conformation, the six C atoms are nearly coplanar [maximum deviation = 0.082 (3) Å] and their mean plane is approximately perpendicular to the carbazole ring system, with a dihedral angle of 78.91 (15)°. In the crystal, molecules are linked by O—H...O hydrogen bonds, forming inversion dimers; π–π stacking between carbazole ring systems of adjacent dimers further links the dimers into supramolecular chains propagating along theb-axis direction [centroid-to-centroid distances = 3.868 (2) and 3.929 (2) Å].

scholarly journals N-[(2Z,4Z)-4-Benzylidene-6-chloro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-ylidene]benzamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2346-o2346 ◽  
Author(s):  
Manuel A. Fernandes ◽  
Demetrius C. Levendis ◽  
David H. Reid
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Electron Density ◽  
Title Compound ◽  
Pyridine Ring ◽  
Bond Lengths ◽  
Compound C ◽  
Tautomeric Forms ◽  
Thiazine Ring ◽  
Residual Electron Density

In the crystal structure of the title compound, C21H14ClN3OS, molecules assemble into inversion dimersviapairs of N—H...N hydrogen bonds involving the N—H hydrogen of the thiazine ring and the N atom of the pyridine ring. There is a close intramolecular contact [2.570 (2) Å] between the carbonyl O atom of the benzamide and the S atom of the puckered thiazine ring. The title compound can exist in two tautomeric forms,viz.amino or imino. The observed structure is compatible with the imino form on the basis of observed residual electron density and the two C—N bond lengths of 1.308 (2) and 1.353 (2) Å.

scholarly journals 4-Chloro-N′-[(E)-2-chlorobenzylidene]benzohydrazide monohydrate

2014 ◽  
Vol 70 (5) ◽  
pp. o612-o612 ◽  
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Herman Potgieter ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Water Molecules ◽  
Aromatic Rings ◽  
Extended Conformation ◽  
Compound C

The title compound, C14H10Cl2N2O·H2O, has a nearly planar extended conformation [C—N—N—C = −173.66 (15)°]. The dihedral angle between the aromatic rings is 4.6 (2)°. The water molecules alternate with benzohydrazide molecules in chains formed by O—H...O hydrogen bonds which run parallel to theaaxis. These chains are linked to neighboring chains through N—H...O and C—H...O interactions, forming a layer parallel to (001).

scholarly journals Crystal structure ofS-hexyl (E)-3-(4-methoxybenzylidene)dithiocarbazate

2015 ◽  
Vol 71 (3) ◽  
pp. o199-o199 ◽  
Author(s):  
M. S. Begum ◽  
M. B. H. Howlader ◽  
R. Miyatake ◽  
E. Zangrando ◽  
M. C. Sheikh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Side Chain ◽  
Extended Conformation ◽  
Compound C

In the title compound, C15H22N2OS2, the dithiocarbazate group adopts anEEconformation with respect to the C=N bond of the benzylidene moiety. The hexyl side chain adopts an extended conformation and the C—S—C—C torsion angle is −93.36 (13)°. In the crystal, inversion dimers linked by pairs of N—H...S hydrogen bonds generateR22(8) loops.

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