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 (E)-2-(2-Hydroxy-3-methylbenzylidene)-N-methylhydrazine-1-carbothioamide: supramolecular assemblies in two-dimensions mediated by N—H...S and C—H...π interactions

2019 ◽  
Vol 75 (5) ◽  
pp. 571-575
Author(s):  
Md. Azharul Arafath ◽  
Huey Chong Kwong ◽  
Farook Adam
Keyword(s):  
Double Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Two Dimensions ◽  
Supramolecular Assemblies ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C

In the title compound, C10H13N3OS, the azomethine C=N double bond has an E configuration. The phenyl ring and methylhydrazine carbothioamide moiety [maximum deviation = 0.008 (2) Å] are twisted slightly with a dihedral angle of 14.88 (10)°. In the crystal, molecules are linked into sheets parallel to the ab plane via N—H...S hydrogen bonds and C—H...π interactions.

scholarly journals 6-Chloro-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

2012 ◽  
Vol 68 (6) ◽  
pp. o1770-o1771
Author(s):  
Nasser R. El-Brollosy ◽  
Mohamed I. Attia ◽  
Ali A. El-Emam ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Open Conformation ◽  
Ethylene Bond ◽  
Ring Centroid

In the title compound, C19H17ClN2O3, the conformation about the ethylene bond [1.333 (2) Å] is E. The ten atoms comprising the quinazoline ring are essentially planar (r.m.s. deviation = 0.032 Å) and their mean plane forms a dihedral angle of 13.89 (7)° with the terminal phenyl ring; the molecule has an open conformation as these substituents are directed away from each other. In the crystal, centrosymmetrically related molecules are connected via N—H...O hydrogen bonds between the amide groups, leading to eight-membered {...HNCO}2 synthons. These are consolidated into a three-dimensional architecture by C—H...O, C—H...π and π–π interactions [ring centroid(N2C4)...centroid(C6) distance = 3.5820 (11) Å].

scholarly journals Ethyl 2-amino-4-(3-nitrophenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

2014 ◽  
Vol 70 (5) ◽  
pp. o587-o587 ◽  
Author(s):  
Mohamed Bakhouch ◽  
Ghali Al Houari ◽  
Mohamed El Yazidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The molecule of the title compound, C20H16N2O5S, is built up by one fused five-membered and two fused six-membered rings linked to ethoxycarbonyl and 3-nitrophenyl groups. The benzothienopyran ring system is nearly planar (r.m.s deviation = 0.0392 Å) and forms a dihedral angle of 86.90 (6)° with the aromatic ring of the nitrobenzene group. In the crystal, molecules are linked by N—H...O hydrogen bonds and by π–π interactions between the phenyl ring and the six-membered heterocyle [intercentroid distance = 3.5819 (8) Å], forming a three-dimensional network.

scholarly journals 6-Methyl-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

2012 ◽  
Vol 68 (6) ◽  
pp. o1768-o1769
Author(s):  
Nasser R. El-Brollosy ◽  
Mohamed I. Attia ◽  
Ali A. El-Emam ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Ethylene Bond

In the title compound, C20H20N2O3, the ten atoms comprising the quinazoline ring are essentially planar (r.m.s. deviation = 0.024 Å), and this plane is almost orthogonal to the terminal phenyl ring [dihedral angle = 82.87 (7)°]. The conformation about the ethylene bond [1.335 (2) Å] is E and there is a significant twist between this residue and the adjacent phenyl ring [C—C—C— torsion angle = −48.4 (3)°]. The crystal structure features centrosymmetric dimeric units linked by pairs of N—H...O hydrogen bonds between the amide groups which lead to eight-membered {...HNCO}2 synthons. These are consolidated into a three-dimensional architecture by C—H...O, C—H...π and π–π interactions [centroid–centroid distances = 3.5087 (8) and 3.5645 (9) Å].

scholarly journals 1,1-Difluoro-3-phenyl-9-(pyridin-2-yl)-1H-1λ4,11λ4-1,3,5,2-oxadiazaborinino[3,4-a][1,8]naphthyridine

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
Bang Zhong Wang ◽  
Yong Zhou ◽  
Jun Ping Zhou ◽  
Jian Song Luo ◽  
Shao Ming Chi
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Supramolecular Architecture ◽  
Π Interactions ◽  
Compound C

In the title compound, C20H13BF2N4O, the central fused three-ring oxadiazaborininonaphthyridine system is planar (r.m.s. deviation of 0.03 Å). The phenyl ring lies in the plane of this ring system, making a dihedral angle of 0.61 (14)°, and is inclined to the pyridine ring by 9.02 (19)°. In the crystal, molecules are connected by C—H...F hydrogen bonds, forming chains propagating along theb-axis direction. The chains are linked by offset π–π interactions [intercentroid distance = 3.4550 (13) Å], forming a three-dimensional supramolecular architecture.

scholarly journals (7-Chloro-2-oxo-2H-chromen-4-yl)methyl pyrrolidine-1-carbodithioate

2013 ◽  
Vol 69 (11) ◽  
pp. o1684-o1685
Author(s):  
O. Kotresh ◽  
H. C. Devarajegowda ◽  
Arunkumar Shirahatti ◽  
K. Mahesh Kumar ◽  
N. M. Mahabhaleshwaraiah
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Interplanar Spacing ◽  
Ring System ◽  
Maximum Deviation ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Chromene Ring

In the title compound, C15H14ClNO2S2, the 2H-chromene ring system is essentially planar, with a maximum deviation of 0.0133 (10) Å. Three C atoms and their attached H atoms of the pyrrolidine ring are disordered [occupany ratio 0.874 (7):0.126 (7)] with both disorder components adopting a twisted conformation. The dihedral angle between the 2H-chromene ring system and the major occupancy component of the pyrrolidine ring is 89.45 (7)°. In the crystal, inversion dimers linked by pairs of C—H...S and C—H...O interactions generateR22(24) andR22(10) loops, respectively. Further C—H...O hydrogen bonds link the dimers into [100] chains. C—H...π interactions also occur and there is very weak π–π stacking [interplanar spacing = 3.650 (5) Å; centroid–centroid distance = 4.095 (7) Å] between inversion-related chlorobenzene rings.

scholarly journals (E)-3-Dimethylamino-1-(2,5-dimethylthiophen-3-yl)prop-2-en-1-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1712-o1713
Author(s):  
Mostafa M. Ghorab ◽  
Mansour S. Al-Said ◽  
Hazem A. Ghabbour ◽  
Tze Shyang Chia ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Thiophene Ring ◽  
Site Occupancy ◽  
Maximum Deviation ◽  
Methyl Groups ◽  
Π Interactions ◽  
Compound C

In the title compound, C11H15NOS, the 3-(dimethylamino)prop-2-en-1-one unit is approximately planar [maximum deviation = 0.0975 (14) Å] and its mean plane of seven non-H atoms makes a dihedral angle of 6.96 (10)° with the thiophene ring. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds into inversion dimers with R 2 2(14) ring motifs. The dimers are stacked along the c axis through C—H...π interactions. The two methyl groups, attached to the thiophene ring and the amino N atom, are each disordered over two orientations, with site-occupancy ratios of 0.59 (4):0.41 (4) and 0.74 (4):0.26 (4), respectively.

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 2-Bromo-1-(1-phenylsulfonyl-1H-indol-3-yl)propan-1-one

2014 ◽  
Vol 70 (3) ◽  
pp. o295-o296
Author(s):  
C. Ramathilagam ◽  
P. R. Umarani ◽  
V. Saravanan ◽  
A. K. Mohanakrishnan ◽  
B. Gunasekaran ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Indole Ring ◽  
Methyl Group ◽  
Π Interactions ◽  
Compound C ◽  
A Chain

In the title compound, C17H14BrNO3S, the phenyl ring makes a dihedral angle of 89.78 (16)° with the plane of the indole ring system. The terminal Br atom and the methyl group are disordered over two sets of sites, with site occupancies of 0.860 (2) and 0.140 (2). In the crystal, molecules are linked into a chain along theb-axis direction by weak C—H...O hydrogen bonds. The chains are further linked by C—H...π interactions, forming layers parallel to thebcplane.

scholarly journals 2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde

2014 ◽  
Vol 70 (4) ◽  
pp. o424-o425 ◽  
Author(s):  
P. Narayanan ◽  
K. Sethusankar ◽  
Velu Saravanan ◽  
Arasambattu K. Mohanakrishnan
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Ring System ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

In the title compound, C28H22N2O8S, the carbazole ring system is roughly planar, with a maximum deviation of 0.084 (3) Å for the C atom connected to the 4,5-dimethoxy-2-nitrophenyl ring. The dihedral angle between the carbazole system and the dimethoxy-substituted nitrophenyl ring is 57.05 (10)°. The aldehyde C atom deviates by 0.164 (5) Å from its attached carbazole ring system. The molecular structure is stabilized by C—H...O interactions which generate twoS(6) and oneS(7) ring motif. In the crystal, molecules are linked by C—H...O hydrogen bonds, formingR33(15) ring motifs, which are further crosslinked byR32(19) ring motifs, resulting in (002) layers. The crystal packing also features C—H...π interactions.

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