scholarly journals Crystal structure of (2E)-N-methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide

2014 ◽  
Vol 70 (11) ◽  
pp. 415-417 ◽  
Author(s):  
G. Vimala ◽  
J. Govindaraj ◽  
J. Haribabu ◽  
R. Karvembu ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Three Dimensional ◽  
Resonant Scattering ◽  
Ring System ◽  
Compound C ◽  
Intramolecular Hydrogen ◽  
Absolute Structure

In the title compound, C14H11N3OS, the acenaphthylene ring system and hydrazinecarbothioamide unit (=N—NH—C=S—NH–) are essentially coplanar [with maximum deviations from their mean planes of −0.009 (2) and 0.033 (2) Å, respectively], and make a dihedral angle of 1.59 (9)°. The molecular conformation is stabilized by two weak intramolecular hydrogen bonds (N—H...O and N—H...N), which generateS(6) andS(5) ring motifs. In the crystal, molecules are linked by N—H...S hydrogen bonds, forming chains along [010]. The chains are linkedviapairs of C—H...O hydrogen bonds, enclosingR22(10) ring motifs, and C—H...π interactions, forming a three-dimensional framework. The absolute structure of the title compound was determined by resonant scattering.

scholarly journals Crystal structure of (R)-2′-benzyloxy-[1,1′-binaphthalen]-2-yl trifluoromethanesulfonate

2014 ◽  
Vol 70 (10) ◽  
pp. o1096-o1097
Author(s):  
Rui M. B. Carrilho ◽  
Mariette M. Pereira ◽  
Teresa M. R. Maria ◽  
M. Ermelinda S. Eusébio ◽  
V. H. Rodrigues
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Resonant Scattering ◽  
Ring System ◽  
Dimensional Structure ◽  
Compound C ◽  
Centroid Distance ◽  
Naphthyl Ring ◽  
Absolute Structure

In the title compound, C28H19F3O4S, a new 2′-benzyloxy (R)-BINOL derivative containing a trifluoromethanesulfonate group in the 2-position, the planes of the two naphthyl ring systems (r.m.s. deviations = 0.012 and 0.019 Å) are at an angle of 73.36 (2)°, and the planes of the benzyl ring and the naphthyl ring system bound to the ether O atom are at an angle of 75.67 (4)°. In the crystal, molecules are linkedviaC—H...F hydrogen bonds, forming chains propagating along [100]. The chains are linkedviaa weak C—F...π interaction and weak π–π interactions [shortest inter-centroid distance = 3.9158 (12) Å], forming a three-dimensional structure. The absolute structure of the molecule in the crystal was determined by resonant scattering [Flack parameter = 0.02 (6)].

scholarly journals Crystal structure ofN-(1-allyl-3-chloro-4-ethoxy-1H-indazol-5-yl)-4-methoxybenzenesulfonamide

2014 ◽  
Vol 70 (9) ◽  
pp. o1029-o1030
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Latifa Bouissane ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Torsion Angles ◽  
Compound C ◽  
Dimensional Network

In the title compound, C19H20ClN3O4S, the benzene ring is inclined to the indazole ring system (r.m.s. deviation = 0.014 Å) by 65.07 (8)°. The allyl and ethoxy groups are almost normal to the indazole ring, as indicated by the respective torsion angles [N—N—C—C = 111.6 (2) and C—C—O—C = −88.1 (2)°]. In the crystal, molecules are connected by N—H...N hydrogen bonds, forming helical chains propagating along [010]. The chains are linked by C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structure of 5-(1-benzofuran-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-ol

2015 ◽  
Vol 71 (7) ◽  
pp. o492-o493
Author(s):  
A. J. Ravi ◽  
A. C. Vinayaka ◽  
S. Jeyaseelan ◽  
M. P. Sadashiva ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
The Other ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

In the title compound, C18H15NO3, the isoxazole moiety adopts a shallow envelope conformation, with the C atom bearing the OH group displaced by 0.148 (1) Å from the mean plane through the other four atoms. The mean plane of this ring (all atoms) subtends dihedral angles of 87.19 (6) and 15.51 (7)° with the benzofuran ring system (r.m.s. deviation = 0.007 Å) and the 4-methylphenyl ring, respectively. In the crystal, molecules are linked by O—H...N hydrogen bonds, generating [001]C(5) chains, with adjacent molecules in the chain related byc-glide symmetry. Weak C—H...O interactions link the chains into a three-dimensional network.

scholarly journals Crystal structure of 2-amino-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2015 ◽  
Vol 71 (11) ◽  
pp. o807-o808
Author(s):  
K. Chandra Kumar ◽  
V. Umesh ◽  
T. K. Madhura ◽  
B. M. Rajesh ◽  
Chandra
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Chair Conformation ◽  
Ring System ◽  
Membered Ring ◽  
Compound C

In the title compound, C15H15FN2OS, the dihedral angle between the planes of the benzothiophene ring system and the fluorobenzene ring is 3.74 (14)°. The six-membered ring of the benzothiophene moiety adopts a half-chair conformation. The molecular conformation is consolidated by intramolecular N—H...F and N—H...O hydrogen bonds. In the crystal, molecules are linked by N—H...O hydrogen bonds, generatingC(6) [001] chains.

scholarly journals Crystal structure of 5-fluoro-2-(3-fluorophenyl)-3-methylsulfinyl-1-benzofuran

2014 ◽  
Vol 70 (11) ◽  
pp. o1168-o1168
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H10F2O2S, the dihedral angle between the planes of the benzofuran ring system [r.m.s. deviation = 0.015 (1) Å] and the 3-fluorophenyl ring is 26.60 (5)°. In the crystal, molecules are linked by C—H...O and C—H...F hydrogen bonds, and by π–π interactions between the benzofuran rings of inversion-related molecules [centroid(benzene)–centroid(furan) distance = 3.819 (2) Å], forming a three-dimensional network.

scholarly journals Crystal structure of (−)-(5R,7R,8S,9R,10S)-8-methyl-7-[(5R)-3-methyl-2-oxooxolan-3-en-5-yl]-1-aza-6-oxatricyclo[8.3.0.05,9]tridecan-13-one monohydrate

2018 ◽  
Vol 74 (4) ◽  
pp. 555-558
Author(s):  
Takeshi Oishi ◽  
Makoto Yoritate ◽  
Takaaki Sato ◽  
Noritaka Chida
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Water Molecules ◽  
Compound C ◽  
Tricyclic Core ◽  
The Mean

The title compound, C17H23NO4·H2O, is an epimer of the natural tetracyclic alkaloid isosaxorumamide which consists of a fused 5–7–5 tricyclic core and a dihydrofuranone substituent. The terminal dihydrofuran ring is essentially planar with a maximum deviation of 0.0273 (14) Å from the mean plane and oxolane, azepane and pyrrolidine rings in the tricyclic ring system adopt twist, twist-chair and envelope forms, respectively. In the crystal, the amide and water molecules are linked by O—H...O hydrogen bonds, forming a tape structure running along the b-axis direction. The tapes are further connected by C—H...O interactions into a three-dimensional architecture.

scholarly journals Crystal structure of 2,9-diphenyl-17λ6-thiatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene-17,17-dione

2014 ◽  
Vol 70 (9) ◽  
pp. o1013-o1014
Author(s):  
S. Gopinath ◽  
P. Narayanan ◽  
K. Sethusankar ◽  
Meganathan Nandakumar ◽  
Arasambattu K. Mohanakrishnan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Naphthalene Ring ◽  
Compound C ◽  
Phenyl Rings

The title compound, C28H18O2S, is composed of a naphthalene ring system fused with a benzothiophene ring and attached to two phenyl rings. The phenyl rings make dihedral angles of 70.92 (8) and 79.23 (8)° with the essentially planar naphthalene ring system (r.m.s. deviation = 0.031 Å). There is an intramolecular C—H...π interaction present. In the crystal, molecules are linked by C—H...O hydrogen bonds which generateC(7) zigzag chains running parallel to [10-1]. The chains are linkedviafurther C—H...π interactions, forming a three-dimensional structure.

scholarly journals Crystal structure of (S)-4-carbamoyl-4-(1,3-dioxoisoindolin-2-yl)butanoic acid

2015 ◽  
Vol 71 (1) ◽  
pp. 107-109 ◽  
Author(s):  
Kohei Otogawa ◽  
Kazuhiko Ishikawa ◽  
Motoo Shiro ◽  
Toru Asahi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Butanoic Acid ◽  
Compound C ◽  
Dimensional Network ◽  
Ring Motif

In the title compound, C13H12N2O5, the phthalimide ring system is essentially planar, with a maximum deviation of 0.0479 (14) Å. In the crystal, each molecule is linkedviasix neighbouring molecules into a three-dimensional network through N—H...O and O—H...O hydrogen bonds, which form anR32(8) ring motif.

scholarly journals Crystal structure of 2-[(3aS,6R)-3,3,6-trimethyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]thiazol-4(5H)-one

2016 ◽  
Vol 72 (3) ◽  
pp. 334-336
Author(s):  
Abdellah N'ait Ousidi ◽  
My Youssef Ait Itto ◽  
Aziz Auhmani ◽  
Abdelkhalek Riahi ◽  
Jean-Claude Daran ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The title compound, C13H19N3OS, is a new thiazolidin-4-one derivative prepared and isolated as the pure (3aS,6R)-diastereisomer from (R)-thiosemicarbazone pulegone. It crystallized with two independent molecules (AandB) in the asymmetric unit. The compound is composed of a hexhydroindazole ring system (viz.a five-membered dihydropyrazole ring fused to a cyclohexyl ring) with a thiazole-4-one ring system attached to one of the pyrazole N atoms (at position 2). The overall geometry of the two molecules differs slightly, with the mean planes of the pyrazole and thiazole rings being inclined to one another by 10.4 (1)° in moleculeAand 0.9 (1)° in moleculeB. In the crystal, theAandBmolecules are linkedviaC—H...O hydrogen bonds, forming slabs parallel to theabplane. There are C—H...π interactions present within the layers, and between the layers, so forming a three-dimensional structure.

scholarly journals Crystal structure of a new monoclinic polymorph of 2,4-dihydroxybenzaldehyde 4-methylthiosemicarbazone

2015 ◽  
Vol 71 (1) ◽  
pp. 58-61 ◽  
Author(s):  
M. A. Salam ◽  
Mouayed A. Hussein ◽  
Edward R. T. Tiekink
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Title Compound ◽  
Three Dimensional ◽  
Specific Interactions ◽  
Acta Cryst ◽  
Compound C ◽  
Intramolecular Hydrogen

The title compound, C9H11N3O2S, is a second monoclinic (P21/c) polymorph of the previously reportedCcform [Tanet al.(2008b).Acta Cryst.E64, o2224]. The molecule is non-planar, with the dihedral angle between the N3CS residue (r.m.s. deviation = 0.0816 Å) and the benzene ring being 21.36 (4)°. The conformation about the C=N bond [1.292 (2) Å] isE, the two N-bound H atoms areanti, and the inner hydroxy O-bound and outer amide N-bound H atoms form intramolecular hydrogen bonds to the imine N atom. Crucially, the H atom of the outer hydroxy group is approximatelysynto the H atom of the benzene C atom connecting the two C atoms bearing the hydroxy substituents. This arrangement enables the formation of supramolecular tubes aligned along [010] and sustained by N—H...O, O—H...S and N—H...S hydrogen bonds; the tubes pack with no specific interactions between them. While the molecular structure in theCcform is comparable, the H atom of the outer hydroxy group is approximatelyanti, rather thansyn. This different orientation leads to the formation a three-dimensional architecture based on N—H...O and O—H...S hydrogen bonds.

Sign in / Sign up

Export Citation Format

Share Document