4-Nitroaniline-2,4,6-trimethoxybenzaldehyde (1/1) (original) (raw)

( E )- N -(Anthracen-9-ylmethylidene)-4-nitroaniline

Acta Crystallographica Section E Structure Reports Online, 2011

In the title molecule, C 21 H 14 N 2 O 2 , the anthracenyl system is approximately planar [maximum deviation = 0.056 (4) Å ] and is oriented at a dihedral angle of 73.6 (1) with respect to the benzene ring. An intramolecular C-HÁ Á ÁN hydrogen bond generates an S(6) ring motif. The crystal packing is stabilized by C-HÁ Á Á andinteractions [centroid-centroid distances of 3.688 (2), 3.656 (1) and 3.716 (2) Å ].

Ethyl 2-[(E)-4-(dimethylamino)benzylidenehydrazino]-5-nitrobenzoate

Acta Crystallographica Section E Structure Reports Online

The title compound, C18H20N4O4, exists in the E configuration with respect to the C=N bond of the methylidine unit. The dihedral angle between the two benzene rings is 9.01 (6)°. An intramolecular N—H...O hydrogen bond involving the benzoate unit generates an S(6) ring motif. In the crystal, the molecules are linked by weak C—H...O interactions into infinite chains along the b axis. These chains are further connected into sheets parallel to the ab plane which are stacked approximately along the c axis. A C—H...π interaction is also observed.

Synthesis and Crystal Structure of 1-Chloro-2-methyl-4-nitrobenzene

Crystals, 2012

The title compound (3) was prepared from 4-chloroaniline in good yield on successive oxidation and methylation and its crystal and molecular structure is reported. The compound crystallizes in the monoclinic space group P 2 1 /n with unit cell dimensions a = 13.5698(8), b = 3.7195 (3), c = 13.5967 (8) Å, ß = 91.703(3) °, V = 685.96 (10) Å 3. The molecule is essentially planar with a dihedral angle of 6.2(3) ° between the nitro group and the phenyl ring. The crystal structure is stabilised by π...π contacts between adjacent benzene rings together with C-H...O hydrogen bonds and close Cl...O contacts.

Crystal structure of (E)-N-[(2-methoxy- naphthalen-1-yl)methylidene]-3-nitro- aniline

In the title compound, C 18 H 14 N 2 O 3 , the dihedral angle between the naphthalene ring system and the benzene ring is 59.99 (13). A short intramolecular C—HÁ Á ÁN contact closes an S(6) ring. The nitro group is disordered over two orientations in a statistical ratio. In the crystal, weak C— HÁ Á ÁO hydrogen bonds and very weak – stacking interactions [centroid–centroid separation = 3.9168 (17) A ˚ ] are observed.

Crystal structure of (3E)-3-(2,4-di-nitro-phen-oxy-meth-yl)-4-phenyl-but-3-en-2-one

Acta crystallographica. Section E, Structure reports online, 2014

In the title compound, C17H14N2O6, the conformation about the C=C double bond [1.345 (2) Å] is E, with the ketone moiety almost coplanar [C-C-C-C torsion angle = 9.5 (2)°] along with the phenyl ring [C-C-C-C = 5.9 (2)°]. The aromatic rings are almost perpendicular to each other [dihedral angle = 86.66 (7)°]. The 4-nitro moiety is approximately coplanar with the benzene ring to which it is attached [O-N-C-C = 4.2 (2)°], whereas the one in the ortho position is twisted [O-N-C-C = 138.28 (13)°]. The mol-ecules associate via C-H⋯O inter-actions, involving both O atoms from the 2-nitro group, to form a helical supra-molecular chain along [010]. Nitro-nitro N⋯O inter-actions [2.8461 (19) Å] connect the chains into layers that stack along [001].

Crystal structure of (3E)-3-[(4-nitro-phen-oxy)-meth-yl]-4-phenyl-but-3-en-2-one

Acta crystallographica. Section E, Structure reports online, 2014

In the title compound, C17H15NO4, the conformation about the C=C double bond [1.348 (2) Å] is E with the ketone group almost co-planar [C-C-C-C torsion angle = 7.2 (2)°] but the phenyl group twisted away [C-C-C-C = 160.93 (17)°]. The terminal aromatic rings are almost perpendicular to each other [dihedral angle = 81.61 (9)°] giving the mol-ecule an overall U-shape. The crystal packing feature benzene-C-H⋯O(ketone) contacts that lead to supra-molecular helical chains along the b axis. These are connected by π-π inter-actions between benzene and phenyl rings [inter-centroid distance = 3.6648 (14) Å], resulting in the formation of a supra-molecular layer in the bc plane.

Structure of 4-nitrobenzaldehyde

1989

C7HsNO3, Mr = 151"1, monoclinic, P21, a = 6.2076 (3), b = 5.0968 (4), c = 10.6723 (7) A, /~ = 95.222 (5) °, V= 336-3 (1) A 3, z = 2, Dx = 1.492 g cm -3, A(Cu Ka) = 1.54184 A,/z = 9"74 cm -1, F(000)= 156, T =297(1)K, R=0.040 for 1191 reflections with I > 3tr(/) (1372 unique observations). The carbonyl O atom exhibits a slight disorder, having 10% occupancy in a site nearly coincident with the aldehydic H atom. The molecule shows only small deviations from overall planarity, with mean deviation 0-014 A and lar~gest individual deviations 0.032 (1) and -0.022 (2) A for the O atoms of the nitro group. The N---O distances are 1.213 and 1.227 (2)A, and the ~O distance for the major conformer is 1.204 (2) A.

Crystal structure of 4-bromo-N-(2-bromo-3-nitro-benz-yl)-2-nitro-naphthalen-1-amine

Acta crystallographica. Section E, Structure reports online, 2014

In the title compound, C 17 H 11 Br 2 N 3 O 4 , the dihedral angle between the planes of the naphthalene system and the benzene ring is 52.86 (8) . The nitro substituent and the attached naphthalene system are almost coplanar [dihedral angle = 5.6 (4) ], probably as a consequence of an intramolecular N-HÁ Á ÁO hydrogen bond with the amine group. The nitro substituent attached to the benzene ring is disordered over two sets of sites with occupancies of 0.694 (3) and 0.306 (3). The major component deviates significantly from the ring plane [dihedral angle = 53.6 (2) ]. In the crystal, the molecules are linked into a threedimensional array by extensiveinteractions involving both the naphthalene and benzene rings [range of centroidcentroid distances = 3.5295 (16)-3.9629 (18) Å ] and C-HÁ Á ÁO interactions involving the methylene H atoms and the phenyl-attached nitro group.