scholarly journals Crystal structure of (2E,4E)-5-[bis(2-hydroxyethyl)amino]-1-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-one

2015 ◽  
Vol 71 (11) ◽  
pp. o870-o871
Author(s):  
Alexander A. Golovanov ◽  
Anna V. Vologzhanina ◽  
Ivan S. Odin ◽  
Tat'yana P. Tret'yakova ◽  
Sergey V. Naumov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Supramolecular Architecture ◽  
Π Interactions ◽  
Compound C

In the title compound, C21H22ClNO3, the pentadiene unit is nearly planar [maximum deviation = 0.023 (1) Å], but the carbonyl O atom deviates significantly [by 0.304 (1) Å] from its mean plane, which is twisted with respect to the phenyl and chlorobenzene rings by 71.34 (13) and 46.40 (13)°, respectively. In the crystal, inversion-related molecules are linked by two pairs of O—H...O hydrogen bonds, forming chains propagating along [01-1], enclosingR22(16) andR22(22) ring motifs. The chains are linkedviaC—H...O hydrogen bonds and C—H...π interactions into a three-dimensional supramolecular architecture.

scholarly journals Crystal structure of 2-benzylamino-4-p-tolyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2015 ◽  
Vol 71 (2) ◽  
pp. 192-194
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentane Ring ◽  
Ring Motif

The title compound, C23H21N3, comprises a 2-amino-3-cyanopyridine ring fused with a cyclopentane ring. The later adopts an envelope conformation with the central methylene C atom as the flap. The benzyl and andp-tolyl rings are inclined to one another by 56.18 (15)°, and to the pyridine ring by 81.87 (14) and 47.60 (11)°, respectively. In the crystal, molecules are linked by pairs of N—H...Nnitrilehydrogen bonds, forming inversion dimers with anR22(12) ring motif. The dimers are linked by C—H...π and π–π interactions [centroid–centroid distance = 3.7211 (12) Å], forming a three-dimensional framework.

scholarly journals Crystal structure of ethyl 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2015 ◽  
Vol 71 (2) ◽  
pp. o81-o82 ◽  
Author(s):  
M. Suresh ◽  
M. Syed Ali Padusha ◽  
J. Josephine Novina ◽  
G. Vasuki ◽  
Vijayan Viswanathan ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Supramolecular Chain

In the title compound, C12H14N2O2S2, the dihydropyrimidine ring adopts a sofa conformation, with the C atom bearing the thienyl ring lying above the plane of the five remaining approximately coplanar (r.m.s. deviation = 0.0405 Å) atoms of the ring. The dihedral angle between the five near coplanar atoms of the ring and the thienyl ring is 89.78 (11)°. In the crystal, molecules are linked into a supramolecular chain along [100]viaN—H...O(carbonyl) hydrogen bonds. Inversion-related chains are linked into double chainsviaN—H...S(thione) hydrogen bonds. The three-dimensional architecture also features methyl–thienyl C—H...π interactions.

scholarly journals Crystal structure of 2-chloro-5-(3-hydroxy-3-methylbut-1-yn-1-yl)pyrimidine

2017 ◽  
Vol 73 (8) ◽  
pp. 1172-1174
Author(s):  
Jörg Hübscher ◽  
Wilhelm Seichter ◽  
Edwin Weber
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Planar Geometry ◽  
Supramolecular Architecture ◽  
Compound C

In the title compound, C9H9ClN2O, the ethynylpyrimidine moiety displays an almost planar geometry. In the crystal, molecules are linked by O—H...N and C—Hpyrimidine...O hydrogen bonds, forming a three-dimensional supramolecular architecture.

scholarly journals (5R*)-5-[(2S*,5S*)-1-Methoxy-5-phenylpyrrolidin-2-yl]-3-methylfuran-2(5H)-one

2014 ◽  
Vol 70 (8) ◽  
pp. o839-o839
Author(s):  
Takeshi Oishi ◽  
Makoto Yoritate ◽  
Takaaki Sato ◽  
Noritaka Chida
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Maximum Deviation ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Twist Conformation

In the title compound, C16H19NO3, the pyrrolidine ring is in a twist conformation. The dihedral angle between the dihydrofuran ring [maximum deviation = 0.0016 (11) Å] and the phenyl ring is 47.22 (8)°. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming helical chains along theb-axis direction. The chains are further linked by C—H...π interactions to constitute a three-dimensional architecture.

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 Crystal structure ofN-(quinolin-6-yl)hydroxylamine

2014 ◽  
Vol 70 (11) ◽  
pp. 322-324 ◽  
Author(s):  
Anuruddha Rajapakse ◽  
Roman Hillebrand ◽  
Sarah M. Lewis ◽  
Zachary D. Parsons ◽  
Charles L. Barnes ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
A Minor

The title compound, C9H8N2O, crystallized with four independent molecules in the asymmetric unit. The four molecules are linkedviaone O—H...N and two N—H...N hydrogen bonds, forming a tetramer-like unit. In the crystal, molecules are further linked by O—H...N and N—H...O hydrogen bonds forming layers parallel to (001). These layers are linkedviaC—H...O hydrogen bonds and a number of weak C—H...π interactions, forming a three-dimensional structure. The crystal was refined as a non-merohedral twin with a minor twin component of 0.319.

2,6-Dimethylpyridinium hydrogen (2R,3R)-(+)-tartrate sesquihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. o1433-o1434
Author(s):  
Zi-Liang Wang ◽  
Ming-Xue Li ◽  
Lin-Heng Wei ◽  
Jing-Ping Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Supramolecular Framework ◽  
Π Interactions ◽  
Compound C

The crystal structure of the title compound, C7H10N+·C4H5O6 −·1.5H2O, is based on a three-dimensional supramolecular framework constructed through N—H...O hydrogen bonds and weak π–π interactions.

scholarly journals Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate

2014 ◽  
Vol 70 (2) ◽  
pp. m53-m53 ◽  
Author(s):  
E. Govindan ◽  
Subramani Thirumurugan ◽  
Ayyakannu Sundaram Ganeshraja ◽  
Krishnamoorthy Anbalagan ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the crystal structure of the title compound, (C12H9N2)2[ZnCl4]·H2O, the two independent 1,10-phenanthrolinium cations are bridged by the water molecule and the tetrahedral tetrachloridozincate anionviaN—H...O, O—H...Cl and N—H...Cl hydrogen bonds, forming chains along [100]. The chains are linkedviaC—H...Cl hydrogen bonds and a number of π–π interactions [centroid–centroid distances vary from 3.5594 (14) to 3.7057 (13) Å], forming a three-dimensional network. In each 1,10-phenanthrolinium cation, there is a short N—H...N interaction.

scholarly journals Crystal structure ofO-benzyl-L-tyrosineN-carboxy anhydride

2017 ◽  
Vol 73 (4) ◽  
pp. 553-555
Author(s):  
Aya Inada ◽  
Hitoshi Kanazawa
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C

In the title compound, C17H15NO4(alternative name;O-benzyl-L-tyrosineN-carboxy anhydride), the oxazolidine ring is planer, with an r.m.s. deviation of 0.039 Å. The benzyloxy and benzyl rings are almost coplanar, making a dihedral angle of 0.078 (10)°, and are inclined to the oxazolidine ring by 59.16 (11) and 58.42 (11)°, respectively. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds, forming ribbons propagating along [010]. The ribbons are linked by C—H...π interactions, forming a three-dimensional supramolecular structure. The oxazolidine rings of adjacent ribbons are arranged into a layer parallel to theabplane. This arrangement is favourable for the polymerization of the compound in the solid state.

scholarly journals Crystal structure of (1S*,2R*)-7-benzyloxy-2-methyl-3-tosyl-2,3,4,5-tetrahydro-1H-3-benzazepin-1-ol: elucidation of the relative configuration of potent allosteric GluN2B selective NMDA receptor antagonists

2016 ◽  
Vol 72 (5) ◽  
pp. 683-686
Author(s):  
Bastian Tewes ◽  
Bastian Frehland ◽  
Roland Fröhlich ◽  
Bernhard Wünsch
Keyword(s):  
Crystal Structure ◽  
Nmda Receptor ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Nmda Receptor Antagonists ◽  
Aromatic Rings ◽  
Relative Configuration ◽  
Π Interactions ◽  
Compound C

In the title compound, C25H27NO4S, which crystallized as a racemate, the relative configuration of the adjacent OH and CH3groups on the azepine ring istrans. The seven-membered azepin ring has a chair-like conformation. The planar aromatic rings of the benzyl and tosylate moiety are inclined to the planar 3-benzazepine ring by 78.39 (15) and 77.03 (14)°, respectively, and to each another by 13.82 (15)°. In the crystal, molecules are linkedviaO—H...O and C—H...O hydrogen bonds, forming double-stranded chains along thea-axis direction. The chains are linkedviaC—H...π interactions, forming a three-dimensional architecture.

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