scholarly journals 3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole

2012 ◽  
Vol 68 (4) ◽  
pp. o1018-o1018 ◽  
Author(s):  
Edward R. T. Tiekink ◽  
Solange M. S. V. Wardell ◽  
James L. Wardell
Keyword(s):  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Pyrazole Ring ◽  
Pyrazole Derivative ◽  
Π Interactions ◽  
Supramolecular Chains

In the title pyrazole derivative, C11H11N3O2, the benzene ring is twisted [dihedral angle = 31.38 (12)°] with respect to the pyrazole ring (r.m.s. deviation = 0.009 Å). The nitro group is effectively coplanar with the benzene ring to which it is attached [O—N—C—C torsion angle = −6.5 (3)°]. Supramolecular chains along thebaxis are formed owing to π–π interactions [3.8653 (2) Å] between translationally related molecules involving both the five- and six-membered rings.

scholarly journals 4-[3,4-Dimethyl-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-3,4-dimethyl-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one

2012 ◽  
Vol 68 (4) ◽  
pp. o992-o993 ◽  
Author(s):  
Solange M. S. V. Wardell ◽  
Alan H. Howie ◽  
Edward R. T. Tiekink ◽  
James L. Wardell
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Pyrazole Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C24H26N4O2, the complete molecule is generated by the application of twofold symmetry. The pyrazole ring is approximately planar [r.m.s. deviation = 0.026 Å] and the benzene ring is twisted out of this plane [dihedral angle = 21.94 (7)°]. A twist in the molecule about the central C—C bond [1.566 (3) Å] is also evident [C—C—C—C torsion angle = 44.30 (14)°]. Supramolecular layers in thebcplane are formed in the crystal packingviaC—H...O and C—H...π interactions.

scholarly journals Crystal structure of (E)-1-([1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

2015 ◽  
Vol 71 (2) ◽  
pp. o119-o120
Author(s):  
D. Shanthi ◽  
T. Vidhyasagar ◽  
K. Rajeswari ◽  
M. Kayalvizhi ◽  
G. Vasuki ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C21H15NO3, the molecule has anEconformation about the C=C bond, and the C—C=C—C torsion angle is −178.24 (18)°. In the molecule, the planes of the terminal rings are twisted by an angle of 42.19 (10)°, while the biphenyl part is not planar, with a dihedral angle between the rings of 39.2 (1)°. The dihedral angle between the nitrophenyl ring and the inner benzene ring is 5.56 (9)°. The 3-nitro group is approximately coplanar with the benzene ring to which it is attached [O—N—C—C = 0.1 (3)°]. In the crystal, molecules are linkedviaC—H...π interactions, involving the terminal benzene rings, forming corrugated layers parallel to (100).

scholarly journals 6-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2H-chromen-2-one–6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-2H-chromen-2-one (1/1) fromMesua elegans

2012 ◽  
Vol 68 (4) ◽  
pp. o939-o940
Author(s):  
Gomathi Chan ◽  
Khalijah Awang ◽  
Nor Hadiani Ismail ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Phenyl Ring ◽  
Lactone Ring ◽  
Chemical Formula ◽  
Π Interactions ◽  
Lactone Carbonyl ◽  
Supramolecular Chains

The title co-crystal, C30H34O5·C30H34O5, comprises a 1:1 mixture of two mostly superimposed molecules with the same chemical formula that differ in the nature of the substituent (2-methylbutanoyl or 3-methylbutanoyl) bound at the exocyclic ketone. The lactone ring is close to planar (r.m.s. deviation = 0.058 Å) and the phenyl ring is twisted out of this plane [dihedral angle = 60.08 (9)°]. The geranyl substituent is almost normal to benzene ring to which it is connected [C—C—Car—Car(ar = aromatic) torsion angle = −87.8 (2)°]. Intramolecular O—H...O and O—H...π interactions are formed. In the crystal, supramolecular chains are formed along theaaxis owing to C—H...O contacts, with the lactone carbonyl atom accepting two such bonds.

scholarly journals 2-[(E)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. o1851-o1852
Author(s):  
Suchada Chantrapromma ◽  
Nawong Boonnak ◽  
Boonwasana Jindawong ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings

The title salt crystallized as the monohydrate C15H16NO2+·C6H4BrSO3−·H2O. The cation exists in anEconformation with respect to the ethynyl bond and is essentially planar, with a dihedral angle of 6.52 (14)° between the pyridinium and the benzene rings. The hydroxy and methoxy substituents are coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0116 (3) Å for the nine non-H atoms [Cmethyl—O—C—C torsion angle = −0.8 (4)°]. In the crystal, the cations and anions are stacked by π–π interactions, with centroid–centroid distances of 3.7818 (19) and 3.9004 (17) Å. The cations, anions and water molecules are linked by O—H...O hydrogen bonds and weak C—H...O interactions, forming a three-dimensional network.

scholarly journals 1-Piperonylpiperazinium 4-nitrobenzoate monohydrate

2014 ◽  
Vol 70 (3) ◽  
pp. o270-o271 ◽  
Author(s):  
Channappa N. Kavitha ◽  
Manpreet Kaur ◽  
Brian J. Anderson ◽  
Jerry P. Jasinski ◽  
H. S. Yathirajan
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Chair Conformation ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Hydrated Salt ◽  
Benzene Rings

In the title hydrated salt [systematic name: 1-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium 4-nitrobenzoate monohydrate], C12H17N2O2+·C7H4NO4−·H2O, the piperazinium ring of the cation adopts a slightly distorted chair conformation. The piperonyl and piperazine rings are rotated with respect to each other with an N—C—C—C torsion angle of 45.6 (2)°. In the anion, the nitro group is almost coplanar with the adjacent benzene ring, forming a dihedral angle of only 3.9 (4)°. In the crystal, the cations, anions and water molecules are linked through N—H...O and O—H...O hydrogen bonds into chains along theaaxis. In addition, weaker intermolecular C—H...O interactions are also observed within the chains. The anions form centrosymmetric couples through π-stacking interactions, with an intercentroid distance of 3.681 (4) Å between the benzene rings.

scholarly journals N′-[(1Z)-1-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)ethyl]-2-[(4-methylphenyl)sulfanyl]acetohydrazide

IUCrData ◽  
2017 ◽  
Vol 2 (11) ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Mohamed S. Abbady ◽  
Etify A. Bakhite ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Pyrazole Ring ◽  
Stacking Interactions ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C

In the title compound, C21H22N4O2S, the dihedral angle between the pyrazole ring and adjacent benzene ring is 6.4 (1)°. The molecular conformation is influenced by intramolecular N—H...O and C—H...O hydrogen bonds. In the crystal, N—H...O hydrogen bonds plus C—H...π and π–π stacking interactions form chains extending in thea-axis direction. The chains are linked by complementary pairs of C—H...π interactions.

scholarly journals 1-Methyl-4-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyridinium 4-bromobenzenesulfonate monohydrate

2013 ◽  
Vol 69 (11) ◽  
pp. o1623-o1624 ◽  
Author(s):  
Suchada Chantrapromma ◽  
Pumsak Ruanwas ◽  
Boonwasana Jindawong ◽  
Hoong-Kun Fun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Water Molecules ◽  
Π Interactions ◽  
Hydrated Salt ◽  
Benzene Rings ◽  
Methoxy Substituent

In the title hydrated salt, C15H16NO2+·C6H4BrO3S−·H2O, the cation exists in anEconformation with respect to the ethenyl bond and is almost planar, with a dihedral angle of 2.62 (12)° between the planes of the pyridinium and benzene rings. The methoxy substituent deviates slightly from the plane of its attached benzene ring [Cmethyl—O—C—C torsion angle = −11.6 (6)°]. In the crystal, the cations, anion and water molecules are linked together into chains along [010] by O—H...O hydrogen bonds and weak C—H...O interactions. There is a short Br...O contact [3.029 (2) Å]. The crystal structure also features C—H...π interactions involving the benzene ring of the anion.

scholarly journals 5-Cyclohexyl-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran

2014 ◽  
Vol 70 (4) ◽  
pp. o494-o494
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Supramolecular Chains

In the title compound, C22H24O3S, the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.010 (1) Å] of the benzofuran ring system and the benzene ring is 81.78 (4)°. In the crystal, molecules are linkedviapairs of C—H...π interactions into inversion dimers. These dimers are further linked by C—H...π interactions into supramolecular chains running along theb-axis direction. In addition, C—H...O hydrogen bonds are observed between inversion-related dimers.

scholarly journals 2-Nitrobenzyl methanesulfonate

2014 ◽  
Vol 70 (5) ◽  
pp. o616-o616 ◽  
Author(s):  
Venkatramu Anuradha ◽  
S. Madan Kumar ◽  
B. P. Siddaraju ◽  
N. K. Lokanath ◽  
P. Nagendra
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network

In the title compound, C8H9NO5S, the dihedral angle between the benzene ring and the nitro group is 5.86 (15)° and the C—C—O—S group adopts ananticonformation [torsion angle = −168.44 (15)°]. In the crystal, molecules are linked by C—H...O hydrogen bonds, generating a three-dimensional network.

scholarly journals N,N-Dimethyl-4-[(E)-2-(3,6,7-tribromo-9-butyl-9H-carbazol-2-yl)ethenyl]aniline

2012 ◽  
Vol 68 (4) ◽  
pp. o1121-o1121
Author(s):  
Sushil Kumar ◽  
K. R. Justin Thomas ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Membered Ring ◽  
Ring Systems ◽  
Π Interactions ◽  
Butyl Group ◽  
Title Molecule ◽  
Ring Centroid

In the title molecule, C26H25Br3N2, a dihedral angle of 6.15 (10)° is present between the carbazole and benzene ring systems with anEconformation about the C=C bond [1.335 (4) Å]. The butyl group is almost perpendicular to the carbazole plane [C—N—C—C torsion angle = −98.7 (3)°]. In the crystal, supramolecular double chains along [-7,18,-16] are formedviaC—H...Br and π–π interactions [centroid(carbazole five-membered ring)...centroid(carbazole six-membered ring) distance = 3.6333 (13) Å].

Sign in / Sign up

Export Citation Format

Share Document