scholarly journals Crystal structure ofr-1,c-2-dibenzoyl-t-3,t-4-bis(2-nitrophenyl)cyclobutane

2017 ◽  
Vol 73 (12) ◽  
pp. 1866-1870
Author(s):  
Manuel Velasco Ximello ◽  
Sylvain Bernès ◽  
Aarón Pérez-Benítez ◽  
Ulises Hernández Pareja ◽  
Angel Mendoza ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Nitro Group ◽  
Steric Hindrance ◽  
Title Compound ◽  
Condensation Reaction ◽  
Molten State ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The condensation reaction of acetophenone (1-phenylethan-1-one) with 2-nitrobenzaldehyde in the molten state yielded the expected chalcone, (E)-3-(2-nitrophenyl)-1-phenylprop-2-en-1-one, and, unexpectedly, the title compound, C30H22N2O6, which results from thesynhead-to-head [2 + 2] cycloaddition of the chalcone. The molecular structure of the dimer shows that the four benzene rings of the substituents are oriented in such a way that potential steric hindrance is minimized, whilst allowing some degree of intermolecular π–π interactions for crystal stabilization. In the molecule, one nitro group is disordered over two positions, with occupancies for each part of 0.876 (7) and 0.127 (7).

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 4-Methoxy-N-(4-nitrobenzyl)aniline

2012 ◽  
Vol 68 (4) ◽  
pp. o988-o988
Author(s):  
Kamini Kapoor ◽  
Vivek K. Gupta ◽  
Indresh Kumar ◽  
Nisar A. Mir ◽  
Rajni Kant
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C14H14N2O3, the nitro group is nearly coplanar with the benzene ring to which it is bonded [dihedral angle = 1.70 (2)°], and this ring ispara-substituted by the aminomethylene group. The dihedral angle between the benzene rings is 57.8 (1)°. The crystal structure is stabilized by N—H...O and C—H...O hydrogen bonds and weak C—H...π interactions are also observed.

N,N′-Bis[4-(dimethylamino)benzylidene]butane-1,4-diamine

2007 ◽  
Vol 63 (11) ◽  
pp. o4330-o4330
Author(s):  
Mohammad Hossein Habibi ◽  
Mahmoud Zendehdel ◽  
Suchada Chantrapromma ◽  
Hoong-Kun Fun
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The molecule of the title compound, C22H30N4, lies across a crystallographic inversion centre and adopts an E configuration with respect to the azomethine C=N bond. The molecular structure has a staggered conformation, with the two benzene rings parallel to each other. The dihedral angle between the benzylidene and butane groups is 77.77 (7)°. In the crystal structure, molecules are arranged into columns along the a axis by C—H...π interactions.

scholarly journals Crystal structure of (2E,3E)-N2,N3-bis(3-ethyl-[1,1′-biphenyl]-4-yl)butane-2,3-diimine

2015 ◽  
Vol 71 (4) ◽  
pp. o251-o252 ◽  
Author(s):  
Yan Zhao ◽  
Jianchao Yuan ◽  
Jie Zhao ◽  
Shenglan Zhao
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Condensation Reaction ◽  
Maximum Deviation ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C32H32N2, synthesized by the condensation reaction of 2-ethyl-4-phenylaniline and 2,3-butanedione, the conformation about the C=N bonds isEand the substituted biphenyl units aretransto one another. In the two biphenyl ring systems, the planes of the two rings are inclined to one another by 25.25 (19) and 28.01 (19)°. The planes of the ethyl-substituted benzene rings are inclined to one another by 20.23 (19)° and to the mean plane of the butane-2,3-diimine unit [maximum deviation = 0.014 (4) Å] by 83.19 (19) and 63.38 (19)°. In the crystal, molecules are linked by C—H...π interactions, forming sheets lying parallel to (101).

scholarly journals Crystal structure of 2-methyl-N-{[2-(pyridin-2-yl)ethyl]carbamothioyl}benzamide

2015 ◽  
Vol 71 (9) ◽  
pp. o636-o636
Author(s):  
Nadiah Ameram ◽  
Farook Adam
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Thiourea Derivative ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Ring Motif

In the title compound, C16H17N3OS, a benzoyl thiourea derivative, the planes of the pyridine and benzene rings are inclined to one another by 66.54 (9)°. There is an intramolecular N—H...O hydrogen bond present forming anS(6) ring motif. In the crystal, molecules are linkedviapairs of N—H...N hydrogen bonds, forming inversion dimers, which are reinforced by pairs of C—H...S hydrogen bonds. The dimers are linkedviaC—H...π interactions, forming ribbons along [010].

scholarly journals 4-Chloro-1-[2-(2-chlorophenyl)ethyl]-2-nitrobenzene

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
H. S. Yeshwanthkumar ◽  
P. Nagendra ◽  
B. P. Siddaraju ◽  
K. C. Chaluvaraju ◽  
K. Byrappa ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C14H11Cl2NO2, the dihedral angle between the phenyl rings is 8.60 (17)° and the nitro group makes a dihedral anle of 29.4 (4)° with its attached ring. The crystal structure features C—H...O hydrogen bonds and π–π interactions.

scholarly journals Crystal structure of 10-ethyl-7-(9-ethyl-9H-carbazol-3-yl)-10H-phenothiazine-3-carbaldehyde

2017 ◽  
Vol 73 (5) ◽  
pp. 726-728 ◽  
Author(s):  
Vairavan Mahalakshmi ◽  
Siddan Gouthaman ◽  
Madurai Sugunalakshmi ◽  
Srinivasan Bargavi ◽  
Srinivasakannan Lakshmi
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Single Bond ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

The title compound, C29H24N2OS, contains a phenothiazine moiety linked to a planar carbazole unit (r.m.s. deviation = 0.029 Å) by a C—C single bond. The phenothiazine moiety possesses a typical non-planar butterfly structure with a fold angle of 27.36 (9)° between the two benzene rings. The dihedral angle between the mean planes of the carbazole and phenothiazine units is 27.28 (5)°. In the crystal, molecules stack in pairs along thec-axis direction, linked by offset π–π interactions [intercentroid distance = 3.797 (1) Å]. There are C—H...π interactions present linking these dimers to form a three-dimensional structure.

scholarly journals Crystal structure of 1,4-diethoxy-9,10-anthraquinone

2015 ◽  
Vol 71 (7) ◽  
pp. o504-o505 ◽  
Author(s):  
Chitoshi Kitamura ◽  
Sining Li ◽  
Munenori Takehara ◽  
Yoshinori Inoue ◽  
Katsuhiko Ono ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Crystal Packing ◽  
Interplanar Distance ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C18H16O4, contains two crystallographically independent molecules. The anthraquinone ring systems are slightly bent with dihedral angles of 2.33 (8) and 13.31 (9)° between the two terminal benzene rings. In the crystal, the two independent molecules adopt slipped-parallel π-overlap with an average interplanar distance of 3.45 Å, forming a dimer; the centroid–centroid distances of the π–π interactions are 3.6659 (15)–3.8987 (15) Å. The molecules are also linked by C—H...O interactions, forming a tape structure along thea-axis direction. The crystal packing is characterized by a dimer-herringbone pattern.

scholarly journals Crystal structure ofrac-3-hydroxy-2-(p-tolyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindol-1-one

2015 ◽  
Vol 71 (3) ◽  
pp. o143-o144
Author(s):  
Mehmet Aslantaş ◽  
Cumali Çelik ◽  
Ömer Çelik ◽  
Arzu Karayel
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Π Interactions ◽  
Compound C ◽  
Cyclohexene Ring

In the title compound, C16H17NO2, the cyclohexene ring adopts a boat conformation, and the five-membered rings have envelope conformations with the bridging atom as the flap. Their mean planes are oriented at a dihedral angle of 86.51 (7)°. The molecular structure is stabilized by a short intramolecular C—H...O contact. In the crystal, molecules are linked by O—H...O hydrogen bonds forming chains propagating along [100]. The chains are linked by C—H...π interactions, forming slabs parallel to (001).

scholarly journals 6-Chloro-8-nitro-4-oxo-4H-chromene-3-carbaldehyde

2014 ◽  
Vol 70 (5) ◽  
pp. o547-o547
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Title Compound ◽  
Formyl Group ◽  
Torsion Angles ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C10H4ClNO5, the non-H atoms of the 6-chlorochromone unit are coplanar (r.m.s. deviation = 0.017 Å) with the largest deviation from the mean plane [0.031 (2) Å] being found for the C=O C atom. The nitro group (NO2) is inclined to the chromone unit mean plane by 13.3 (2) °. The formyl group is also twisted with respect to the attached ring [C—C—C—O torsion angles = 10.8 (4) and −171.8 (2)°]. In the crystal, molecules are linked via C-H...O hydrogen bonds forming slab-like networks lying parallel to (-301). The slabs are linked by π–π interactions involving the benzene rings of the chromone units [centroid–centroid distance = 3.770 (3) Å].

Sign in / Sign up

Export Citation Format

Share Document