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(1E)-1-(3-Bromo-phen-yl)ethanone 2,4-di-nitro-phenyl-hydrazone.

ABSTRACT: The title compound, C(14)H(11)BrN(4)O(4), contains 3-bromo-phenyl and 2,4-dinitro-phenyl groups on opposite sides of a hydrazone unit and crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the two ring systems in each mol-ecule are 2.0 (1) and 2.5 (4)°. Weak C-H⋯O hydrogen bonds and weak π-π stacking inter-actions [centroid-centroid distance = 3.7269 (14) Å] help to establish the packing. Intra-molecular N-H⋯O hydrogen bonds are also observed. On one of the rings, the Br atom is disordered over two equivalent positions of the phenyl ring [occupancy ratio 0.8734 (10):0.1266 (10).

SUBMITTER: Jasinski JP

PROVIDER: S-EPMC3008979 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(E)-1-(3-Methoxy-phen-yl)ethanone 4-nitro-phenyl-hydrazone.

Project description:Crystals of the title compound, C(15)H(15)N(3)O(3), were obtained from a condensation reaction of 4-nitro-phenyl-hydrazine and 3-methoxy-acetophenone. In the crystal structure, the methoxy-phenyl ring is twisted slightly with respect to the nitro-phenyl-hydrazine plane, making a dihedral angle of 14.81?(8)°. The nitro and meth-oxy groups are each coplanar with the attached benzene rings. The nitro-phenyl and methoxy-phenyl groups are located on opposite sides of the C=N double bond, indicating an E configuration of the mol-ecule. Adjacent mol-ecules are linked together via N-H?O hydrogen bonding, forming chains along the [101] direction.

| S-EPMC2961743 | biostudies-literature

(E)-1-(3-Nitro-phen-yl)ethanone (2-methyl-phen-yl)hydrazone.

Project description:In the title Schiff base compound, C(15)H(15)N(3)O(2), the azomethine double bond adopts an E configuration. The dihedral angle between the two aromatic rings is 13.4?(12)°. In the crystal, mol-ecules are arranged in wave-like layers parallel to (100) without any classical hydrogen bonding.

| S-EPMC3201279 | biostudies-literature

2-Bromo-1-(3-nitro-phen-yl)ethanone.

Project description:In the title compound, C(8)H(6)BrNO(3), there are two mol-ecules, A and B, in the asymmetric unit. The nitro and ethanone groups lie close to the plane of the benzene ring and the bromine atom is twisted slightly: the dihedral angles between the mean planes of the nitro and ethanone groups and the benzene ring are 4.6?(4) (A) and 2.8?(3) (B), and 0.8?(8) (A) and 5.5?(8)° (B), respectively. An extensive array of weak C-H?O hydrogen bonds, ?-? ring stacking [centroid-centroid distances = 3.710?(5) and 3.677?(5)?Å] and short non-hydrogen Br?O and O?Br inter-molecular inter-actions [3.16?(6)and 3.06?(8)?Å] contribute to the crystal stability, forming a supermolecular three-dimensional network structure along 110. These inter-actions give rise to a variety of cyclic graph-set motifs and form inter-connected sheets in the three-dimensional structure.

| S-EPMC3050415 | biostudies-literature

N'-(2,4-Di-nitro-phen-yl)acetohydrazide monohydrate.

Project description:In the crystal structure of the title compound, C8H8N4O5·H2O, the organic and lattice water mol-ecules are linked together via N-H?O and O-H?O hydrogen bonds. A C-H?O inter-action is also observed between the organic mol-ecules. These hydrogen bonds and inter-actions lead to the formation of a three-dimensional network. An intra-molecular N-H?O hydrogen bond also occurs. The dihedral angle between the acetyl group and the almost planar hydrazide moiety [maximum deviation from the least-squares plane is 0.209?(2)?Å for one of the nitro O atoms] is 88.5?(3)°.

| S-EPMC3793750 | biostudies-literature

2-Bromo-2-(5-bromo-1H-1,2,4-triazol-1-yl)-1-(2,4-difluoro-phen-yl)ethanone.

Project description:In the title compound, C(10)H(5)Br(2)F(2)N(3)O, the mean planes of the benzene and triazole rings form a dihedral angle of 84.86 (2)°. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link mol-ecules into extended chains propagating along the c axis.

| S-EPMC2983960 | biostudies-literature

(E)-1-Phenyl-butan-2-one (2,4-dinitro-phen-yl)hydrazone.

Project description:In the title compound, C(16)H(16)N(4)O(4), the dihedral angle between the aromatic rings is 79.04?(8)° and an intra-molecular N-H?O hydrogen bond occurs. In the crystal, weak C-H.·O and C-H..? inter-actions link the mol-ecules, forming sheets.

| S-EPMC2971069 | biostudies-literature

Crystal structures of (1E,4E)-1,5-bis-(5-bromo-thio-phen-2-yl)-2,4-di-methyl-penta-1,4-dien-3-one and (E)-4-(5-bromo-thio-phen-2-yl)-1,3-di-phenyl-but-3-en-2-one.

Project description:The title compounds, C15H12Br2OS2, (I), and C20H15BrOS, (II), were synthesized by employing Claisen-Schmidt condensation of pentan-3-one and di-benzyl-acetone with 5-bromo-thio-phene-2-carbaldehyde in the presence of methano-lic KOH. Even though 1:2 products were expected in both of the reactions, 1:2 and 1:1 products were obtained as (I) and (II), respectively. In (I), the two methyl groups are trans to each other, 29.5 (7) and 28.7 (7)° away from the central carbonyl bond between them, whereas the two phenyl rings of di-benzyl-acetone subtend a dihedral angle of 53.09 (18)°. In the crystal of (I), C-H⋯O hydrogen bonds define mol-ecular chains along c. A second type of mol-ecular chain is formed along b by means of C-Br⋯π inter-actions. These two families of mol-ecular chains are stacked by π-π inter-actions, forming a three-dimensional supra-molecular architecture. In (II), similar C-H⋯O hydrogen bonds as in (I) define inversion dimers, whilst C-H⋯.π inter-actions build a staircase structure along the a axis.

| S-EPMC4770966 | biostudies-literature

rac-2,2'-(Thiane-2,6-di-yl)bis-[1-(4-bromo-phen-yl)ethanone].

Project description:In the title compound, C(21)H(20)Br(2)O(2)S, prepared by the reaction of 1,9-bis-(4-bromo-phen-yl)nona-2,7-diene-1,9-dione with sodium sulfide nona-hydrate in acetonitrile, the six-membered thio-pyran ring has a chair conformation while the H atoms ortho to the S atom adopt a cis configuration. The dihedral angle between the two benzene rings is 2.59?(8)°.

| S-EPMC3089314 | biostudies-literature

1-[3-(2-Nitro-phen-yl)-5-phenyl-2-pyrazolin-1-yl]ethanone.

Project description:The title compound, C(17)H(15)N(3)O(3), was prepared from 1-(2-nitro-phen-yl)-3-phenyl-prop-2-en-1-one and hydrazine. The dihedral angle between the benzene and phenyl rings is 74.55?(2)°. The pyrazoline ring is in a slight envelope conformation with the C atom bonded to the phenyl ring forming the flap. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds connect mol-ecules into chains along [100].

| S-EPMC3006741 | biostudies-literature

Crystal structures of 4-chloro-phenyl N-(3,5-di-nitro-phen-yl)carbamate and phenyl N-(3,5-di-nitro-phen-yl)carbamate.

Project description:The title compounds, C13H8ClN3O6, (I), and C13H9N3O6, (II), differ in the orientation of the two aromatic rings. In (I), they are essentially coplanar, making a dihedral angle of 8.2 (1)°, while in (II), they are inclined to one another by 76.2 (1)°. The two nitro groups are essentially coplanar with the attached benzene rings, as indicated by the dihedral angles of 1.4 (2) and 2.3 (2)° in (I), and 4.96 (18) and 5.4 (2)° in (II). The carbamate group is twisted slightly from the attached benzene ring, with a C-N-C-O torsion angle of -170.17 (15)° for (I) and 168.91 (13)° for (II). In the crystals of of both compounds, mol-ecules are linked via N-H⋯O hydrogen bonds, forming chains propagating along [010]. In (I), C-H⋯O hydrogen bonds also link mol-ecules within the chains. The crystal packing in (I) also features a very weak π-π inter-action [centroid-centroid distance = 3.7519 (9) Å].

| S-EPMC4518992 | biostudies-literature

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