scholarly journals 7-Nitro-2-phenylimidazo[2,1-b][1,3]benzothiazole

2014 ◽  
Vol 70 (2) ◽  
pp. o143-o144 ◽  
Author(s):  
Alexander S. Bunev ◽  
Elena V. Sukhonosova ◽  
Vladimir E. Statsyuk ◽  
Gennady I. Ostapenko ◽  
Victor N. Khrustalev
Keyword(s):  
Nitro Group ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Interplanar Distance ◽  
Stacking Interactions ◽  
Π Stacking ◽  
The Mean ◽  
Title Molecule

In the title molecule, C15H9N3O2S, the central imidazo[2,1-b][1,3]benzothiazole heterotricyclic unit is essentially planar (r.m.s. deviation = 0.021 Å). The terminal phenyl ring and nitro group are twisted by 9.06 (1) and 11.02 (4)°, respectively, from the mean plane of the heterotricycle. In the crystal, molecules are linked by π–π stacking interactions into columns along [100]; the interplanar distance between neighboring imidazo[2,1-b][1,3]benzothiazole planes within the columns is 3.370 (2) Å. Furthermore, the columns interact with each other by secondary S...O [2.9922 (10) and 3.1988 (11) Å] interactions, forming a three-dimensional framework.

scholarly journals 1-(6-Nitro-1H-indazol-1-yl)ethanone

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Mohamed Mokhtar Mohamed Abdelahi ◽  
Youness El Bakri ◽  
Meryeme El Karkour ◽  
Mohammed Benchidmi ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Π Stacking ◽  
Dimensional Network ◽  
Two Component ◽  
The Mean ◽  
Title Molecule

In the title molecule, C9H7N3O3, the indazole moiety is essentially planar and the mean plane of the acetyl substituent is twisted by 5.3 (1)° from its plane. In the crystal, weak C—H...O and C—H...N hydrogen bonds form layers parallel to (102), which are associated through π-stacking interactions to form a three-dimensional network. The structure was refined as a two-component twin.

scholarly journals 6-Fluoro-4-oxo-4H-chromene-3-carbaldehyde

2014 ◽  
Vol 70 (5) ◽  
pp. o583-o583 ◽  
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Axis Direction ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
The Mean

In the title compound, C10H5FO3, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0071 Å), with the largest deviation from the mean plane [0.0203 (15) Å] being found for the ring C atom in the 2-position. In the crystal, molecules are linked into a three-dimensional architectureviaC—H...O hydrogen bonds and π–π stacking interactions between the chromone units along thea-axis direction [centroid–centroid distance between the benzene and pyran rings = 3.707 (2) Å].

scholarly journals 6-(4-Chlorophenyl)-3-methylimidazo[2,1-b]thiazole

2013 ◽  
Vol 69 (11) ◽  
pp. o1701-o1701 ◽  
Author(s):  
Alexander S. Bunev ◽  
Elena V. Sukhonosova ◽  
Vladimir E. Statsyuk ◽  
Gennady I. Ostapenko ◽  
Victor N. Khrustalev
Keyword(s):  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Ring ◽  
Interplanar Distance ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Planar Rotation ◽  
Short Contacts

In the title compound, C12H9ClN2S, the imidazo[2,1-b]thiazole fragment is planar (r.m.s. deviation = 0.003 Å), and the benzene ring is twisted slightly [by 5.65 (6)°] relative to this moiety. In the crystal, molecules are linked by π–π stacking interactions into columns along [010]. The molecules within the columns are arranged alternatively by their planar rotation of 180°. Thus, in the columns, there are the two types of π–π stacking interactions, namely, (i) between two imidazo[2,1-b]thiazole fragments [interplanar distance = 3.351 (2) Å] and (ii) between an imidazo[2,1-b]thiazole fragment and the phenyl ring [interplanar distance = 3.410 (5) Å]. There are no short contacts between the columns.

scholarly journals 2,5-Dimethylphenyl quinoline-2-carboxylate

2014 ◽  
Vol 70 (2) ◽  
pp. o147-o147 ◽  
Author(s):  
E. Fazal ◽  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
S. Nagarajan ◽  
B. S. Sudha
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Stacking Interactions ◽  
Carboxylate Group ◽  
Quinoline Ring ◽  
Compound C ◽  
Π Stacking ◽  
The Mean

In the title compound, C18H15NO2, the dihedral angle between the mean planes of the quinoline ring system and the phenyl ring is 78.8 (1)°. The mean plane of the carboxylate group is twisted from the mean planes of the quinoline ring system and phenyl ring by 1.5 (9) and 77.6 (4)°, respectively. In the crystal, molecules are linked by weak C—H...O interactions, generatingC(8) chains along [001]. Weak π–π stacking interactions are also observed [centroid–centroid separation = 3.6238 (12) Å].

Interplay of hydrogen bonds, iodo...nitro interactions and aromatic π...π stacking interactions in iodo-nitroanilines

2002 ◽  
Vol 58 (4) ◽  
pp. 701-709 ◽  
Author(s):  
Simon J. Garden ◽  
Silvia P. Fontes ◽  
James L. Wardell ◽  
Janet M. S. Skakle ◽  
John N. Low ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Single Type ◽  
Stacking Interactions ◽  
Π Stacking ◽  
Independent Molecules ◽  
Related Compounds ◽  
Centrosymmetric Dimers

Molecules of 2-iodo-5-nitroaniline (I) are linked by N—H...O hydrogen bonds into centrosymmetric dimers and by asymmetric three-centre iodo...nitro interactions into chains, so forming chains of fused centrosymmetric rings: these chains are linked by aromatic π...π stacking interactions to form a three-dimensional structure. In the isomeric 4-iodo-2-nitroaniline (II), each of the two independent molecules forms hydrogen-bonded chains that are linked by two-centre iodo...nitro interactions into sheets of two types, each containing only a single type of molecule: π...π stacking interactions are absent. In 2,4-diiodo-3-nitroaniline (III), where the nitro group is almost orthogonal to the aryl ring, a combination of N—H...O hydrogen bonds and two distinct two-centre iodo...nitro interactions links the molecules into a three-dimensional framework that is reinforced by aromatic π...π stacking interactions. Bond lengths and conformations are discussed and comparisons are drawn with related compounds.

scholarly journals N-(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-N-propionylpropionamide

2014 ◽  
Vol 70 (2) ◽  
pp. o102-o102
Author(s):  
Nabil Idris ◽  
Ray J. Butcher ◽  
Oladapo Bakare
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Carbonyl Groups ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Title Molecule ◽  
Imide Group

In the title molecule, C16H14ClNO4, the four essentially planar atoms of the imide group [r.m.s. deviation = 0.0286 (11) Å] form a dihedral angle of 77.36 (13)° with the naphthoquinone group [maximun deviation = 0.111 (2) Å for the carbonyl O atom in the naphthalene 1-position] and the two imide carbonyl groups are orientedantiwith respect to each other. In the crystal, molecules are connected by weak C—H...O hydrogen bonds, as well as π–π stacking interactions [centroid–centroid distance = 3.888 (3) Å], forming a three-dimensional network.

scholarly journals Ethyl 2-[(3-methylquinoxalin-2-yl)sulfanyl]acetate

IUCrData ◽  
2017 ◽  
Vol 2 (12) ◽  
Author(s):  
Mohcine Missioui ◽  
Joel T Mague ◽  
Mohammed El Fal ◽  
Jamal Taoufik ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Ring System ◽  
Stacking Interactions ◽  
Axis Direction ◽  
Π Stacking ◽  
The Mean ◽  
Title Molecule ◽  
Quinoxaline Ring

In the title molecule, C13H14N2O2S, the dihedral angle between the pyrazine and benzene ring planes is 2.21 (5)°. The mean plane of the quinoxaline ring system is inclined to the sufanylacetate substituent by 81.74 (2)°. In the crystal, inversion-related C—H...N hydrogen bonds form dimers, which are linked into oblique stacks along thea-axis direction by C—H...O hydrogen bonds and π–π-stacking interactions.

scholarly journals 1-(3,4-Dimethoxyphenyl)-3-phenylprop-2-en-1-one

2014 ◽  
Vol 70 (3) ◽  
pp. o368-o368
Author(s):  
Basavaiah Umesha ◽  
Yeriyur Basavaiah Basavaraju ◽  
Manpreet Kaur ◽  
Hemmige S. Yathirajan ◽  
Jerry P. Jasinski
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Stacking Interactions ◽  
Torsion Angles ◽  
Ketone Group ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings ◽  
The Mean

In the title compound, C17H16O3, the dihedral angle between the mean planes of the benzene rings is 57.1 (1)°. The mean plane of the ketone group is twisted by 10.0 (5)° from that of the dimethoxyphenyl ring. The two dimethoxyphenyl groups are twisted slighly from the mean plane of the phenyl ring, with C—O—C—C torsion angles of 6.4 (2) and −7.9 (2)° [r.m.s. deviations = 0.15 (3) and 0.18 (3) Å for the two methoxy C atoms]. In the crystal, weak centroid–centroid π–π stacking interactions, with intercentroid distances of 3.8939 (11) and 3.9430 (10) Å are observed.

scholarly journals 4-(Diphenylamino)benzaldehyde 4-phenylthiosemicarbazone

2012 ◽  
Vol 68 (8) ◽  
pp. o2402-o2403 ◽  
Author(s):  
Rafael Mendoza-Meroño ◽  
Laura Menéndez-Taboada ◽  
Santiago García-Granda
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Stacking Interactions ◽  
Π Stacking ◽  
Phenyl Rings ◽  
Π Stacking Interaction ◽  
Title Molecule ◽  
Ring Motif

The title molecule, C26H22N4S, is composed of three main parts,viz.a triphenylamine group is connected to a phenyl ring by a thiosemicarbazone moiety. The C= N double bond has anEconformation. The crystal packing is dominated by strong hydrogen bonds through the thiosemicarbazone moiety, with pairs of N—H...S hydrogen bonds linking the molecules to form inversion dimers with anR22(8) ring motif. An intramolecular N—H...N hydrogen bond is also present, generating anS(5) ring motif. Although the structure contains four phenyl rings, π–π stacking interactions are not formed between them, probably due to the conformation adopted by the triphenylamine group. However, a weak π–π stacking interaction is observed between the phenyl ring and the delocalized thiosemicarbazone moiety.

scholarly journals 3-Benzoyl-7-methoxy-2H-chromen-2-one

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Weijie Li ◽  
Yongmei Xiao ◽  
Jinwei Yuan ◽  
Liangru Yang ◽  
Pu Mao
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Coumarin Ring

In the title compound, C17H12O4, the dihedral angle between the coumarin ring system (r.m.s. deviation = 0.018 Å) and the phenyl ring is 55.96 (8)°. In the crystal, weak C—H...O interactions connect the molecules into a three-dimensional network and aromatic π–π stacking interactions are also observed [shortest centroid–centroid separation = 3.6692 (9) Å].

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