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 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 (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 Crystal structure of (Z)-3-benzyloxy-6-[(2-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one

2014 ◽  
Vol 70 (12) ◽  
pp. o1292-o1292 ◽  
Author(s):  
Nadir Ghichi ◽  
Ali Benboudiaf ◽  
Hocine Merazig
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Amino Group ◽  
Supramolecular Architecture ◽  
Bond Forming ◽  
Compound C ◽  
Ring Motif

In the title compound, C20H17NO3, the methylidenecyclohexa-2,4-dienone moiety is approximately planar [maximum deviation = 0.0615 (10) Å] and is oriented at diherdral angles of 69.60 (7) and 1.69 (9)° to the phenyl and hydroxybenzene rings, respectively. The amino group links with the carbonyl O atomviaan intramolecular N—H...O hydrogen bond, forming anS(6) ring motif. In the crystal, the molecules are linked by O—H...O hydrogen bonds and weak C—H...O and C—H...π interactions, forming a three-dimensional supramolecular architecture.

scholarly journals 6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine-2,4(1H,3H)-dione

2014 ◽  
Vol 70 (7) ◽  
pp. o768-o769 ◽  
Author(s):  
Nadia G. Haress ◽  
Hazem A. Ghabbour ◽  
Ali A. El-Emam ◽  
C. S. Chidan Kumar ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Dione Derivative ◽  
Dimensional Network ◽  
A Chain ◽  
Ring Motif

In the title pyrimidine-2,4-dione derivative, C14H16N2O2S, the dihedral angle between the six-membered rings is 77.81 (10)°. The molecule is twisted about the Cp—S (p = pyrimidine) bond, with a C—S—C—N torsion angle of −59.01 (17)°. An intramolecular C—H...S hydrogen bond generates anS(5) ring motif. In the crystal, bifurcated acceptor N—H...O and C—H...O hydrogen bonds generate inversion-related dimers incorporatingR21(9) andR22(8) loops. These dimers are connected into a chain extending along thea-axis direction by a second pair of inversion-related N—H...O hydrogen bonds, forming anotherR22(8) loop. The crystal structure is further stabilized by weak intermolecular C—H...π interactions, generating a three-dimensional network.

scholarly journals (2R,3R,4S,5R)-2-(4-Amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methyltetrahydrofuran-3,4-diol

2013 ◽  
Vol 69 (11) ◽  
pp. o1646-o1647
Author(s):  
Ulrich Flörke ◽  
Birte Drewes
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
Aromatic Ring ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Amino Group ◽  
Compound C

The molecular structure of the title compound, C11H13IN4O3, shows a ribofuranosyl–pyrrolo O—C—N—C torsion angle of 59.1 (3)°, with the central C—N bond length being 1.446 (3) Å. The C—I bond length is 2.072 (2) Å. The amino group is coplanar with the attached aromatic ring [C—N—C—N torsion angle = −178.8 (2)°] and forms an intramolecular N—H...I hydrogen bond. In the crystal, O—H...N and N—H...O hydrogen bonds link the molecules into puckered layers parallel to (001). These layers are bound to each other by secondary I...O interactions [3.2250 (17) Å], forming a three-dimensional framework.

scholarly journals Ferrocenecarboxylic anhydride: a redetermination

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
C. John McAdam ◽  
Jim Simpson
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Acid Anhydride ◽  
Dihedral Angles ◽  
Private Communication ◽  
Torsion Angles ◽  
Dimensional Network ◽  
Title Molecule

The title molecule, [Fe2(C5H5)2(C12H8O3)], briefly reported previously [Zhang (2015). Private Communication (CCDC reference 1056736). CCDC, Cambridge, England], comprises two ferrocenyl units connected by an acid anhydride bridge. Both ferrocene units have near coplanar [dihedral angles between the ring planes = 2.84 (4) and 1.74 (13)°] and eclipsed [pseudo torsion angles = 6.3 (2) and 5.1 (2)°] cyclopentadienyl (Cp) rings. A twist through the anhydride linkage results in a dihedral angle of 73.81 (8)° between the two substituted Cp rings planes. An intramolecular C—H...O hydrogen bond is also found. In the crystal, C—H...O hydrogen bonds link the molecules into a three-dimensional network.

scholarly journals (E)-2-[(Furan-2-yl)methylidene]-7-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one

2013 ◽  
Vol 69 (2) ◽  
pp. o150-o150 ◽  
Author(s):  
A. Thiruvalluvar ◽  
R. Archana ◽  
E. Yamuna ◽  
K. J. Rajendra Prasad ◽  
R. J. Butcher ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Pyrrole Ring ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Ring Molecules ◽  
Cyclohexene Ring ◽  
Dimensional Network ◽  
Title Molecule

In the title molecule, C18H15NO2, the atoms in the carbazole unit deviate from planarity [maximum deviation from mean plane = 0.1317 (12) Å]. The pyrrole ring makes dihedral angles of 1.01 (8) and 18.56 (10)° with the benzene and furan rings, respectively. The cyclohexene ring adopts a half-chair conformation. In the crystal, pairs of N—H...O hydrogen bonds form anR22(10) ring. Molecules are further linked by C—H...O and C—H...π interactions, forming a three-dimensional network.

scholarly journals 2-(4-Isobutylphenyl)-N′-[(3Z)-2-oxoindolin-3-ylidene]propanohydrazide

2012 ◽  
Vol 68 (4) ◽  
pp. o1222-o1223 ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Mustafa R. Albayati ◽  
Kuldip Singh ◽  
Herman Potgieter
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Compound C ◽  
Dimensional Network

In the title compound, C21H23N3O2, the indolin-2-one group is essentially planar, with a maximum deviation of 0.016 (2) Å for the N atom, and makes a dihedral angle of 84.38 (14)° with the benzene ring. The =N—N(H)—C(=O)—C– torsion angle is 0.9 (3)°. In the crystal, molecules are linked into a three-dimensional networkviaN—H...O and C—H...O hydrogen bonds. In addition, a C—H...π interaction was observed.

scholarly journals meso-4,4′-Difluoro-2,2′-{[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-1,3-benzimidazole-1,3-diyl]bis(methylene)}diphenol

2013 ◽  
Vol 69 (2) ◽  
pp. o217-o217 ◽  
Author(s):  
Augusto Rivera ◽  
Diego Quiroga ◽  
Jaime Ríos-Motta ◽  
Monika Kučeraková ◽  
Michal Dušek
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Bond Forming ◽  
Compound C ◽  
Dimensional Network ◽  
Rabbit Ear ◽  
Hydroxy Groups

In the crystal structure of the title compound, C21H24F2N2O2, there are two intramolecular O—H...N hydrogen bonds involving the N atoms of the imidazolidine ring and the hydroxy groups. The crystal studied was amesocompound obtained by the reaction of the aminal (2S,7R,11S,16R)-1,8,10,17-tetraazapentacyclo[8.8.1.18,17.02,7.011,16]cosane with 4-fluorophenol. The imidazolidine ring has a twisted conformation with a CH—CH—N—CH2torsion angle of 44.99 (14)° and, surprisingly, the lone pairs of the N atoms are disposed in asynisomerism, making the title compound an exception to the typical `rabbit-ear effect' in 1,2-diamines. In the crystal, molecules are linkedviaC—H...F hydrogen bonds, forming chains along thec-axis direction. These chains are linkedviaanother C—H...F hydrogen bond, forming a three-dimensional network.

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