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(E)-1-[(1,3-Dioxan-4-yl)meth-yl]-2-(nitro-methyl-idene)imidazolidine.

ABSTRACT: In the title compound, C(9)H(15)N(3)O(4), the 1,3-dioxane ring displays a chair conformation and the five-membered ring is close to planar (r.m.s. deviation = 0.054 Å). An intra-molecular N-H⋯O hydrogen bond to one of the nitro-group O atoms generates an S(6) ring. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into C(6) chains propagating in [010] and a C-H⋯O link also occurs.

SUBMITTER: Tian Z

PROVIDER: S-EPMC3007992 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(E)-1-(2,2-Dimeth-oxy-eth-yl)-2-(nitro-methyl-idene)imidazolidine.

Project description:In the title compound, C(8)H(15)N(3)O(4), the 2-(nitro-methyl-ene)imidazolidine fragment is close to being planar (r.m.s. deviation = 0.027 Å), which may be correlated with delocalization of the electrons and the effect of the strongly electron-withdrawing NO(2) group. An intra-molecular N-H⋯O link generates an S(6) ring. The same H atom also forms a weak inter-molecular N-H⋯O hydrogen bond, which results in C(7) chains propagating in [010].

| S-EPMC3008036 | biostudies-literature

N,N'-Bis(3-nitro-benzyl-idene)-2,2'-[2-(3-nitro-phen-yl)imidazolidine-1,3-di-yl]diethanamine.

Project description:The title compound, C(27)H(27)N(7)O(6), a Schiff base, was synthesized by the reaction of triethyl-enetetra-mine with 3-nitro-benzealdehyde. There are two independent mol-ecules in the asymmetric unit. The central aromatic ring in one mol-ecule makes dihedral angles of 23.99?(7) and 20.06?(6)° with the two terminal rings; for the second mol-ecule, these angles are 26.14?(6) and 24.64?(6)°.

| S-EPMC2983619 | biostudies-literature

2-{4-[(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-yl-idene)methyl-amino]phen-yl}acetonitrile.

Project description:The title compound, C(15)H(14)N(2)O(4), is approximately planar, with a dihedral angle of 6.48?(4)° between the amino-methyl-ene unit and the planar five-atom part of the dioxane ring, and a dihedral angle of 2.40?(4)° between amino-methyl-ene unit and the phenyl-ene ring. The dioxane ring is envelope shaped, with the dimethyl-substituted C atom that represents the flap 0.535?(8)?Å out of the plane. The mol-ecule has an intra-molecular N-H?O hydrogen bond.

| S-EPMC2969579 | biostudies-literature

2-[(6-Nitro-1,3-benzodioxol-5-yl)methyl-idene]malononitrile.

Project description:In the title compound, C(11)H(5)N(3)O(4), the nitro group is rotated by 29.91 (16)° out of the plane of the adjacent aryl ring. The 1,3-benzodioxole ring is nearly planar, with a maximium deviation of 0.0562 (10) Å. The dioxolene ring adopts an envelope conformation on the O-C-O C atom. In the crystal, mol-ecules are linked via C-H⋯O inter-actions, resulting in R(2) (2)(6) and R(2) (2)(12) graph-set motifs.

| S-EPMC3239096 | biostudies-literature

1,3-Bis(chloro-meth-yl)-2-methyl-5-nitro-benzene.

Project description:The title compound, C(9)H(9)Cl(2)NO(2), is a natural product isolated from the endophytic fungus No. B77 of the mangrove tree from the South China Sea coast. In the crystal structure, the mol-ecules lie on twofold axes and form offset stacks through face-to-face π-π inter-actions. Adjacent mol-ecules in each stack are related by a centre of inversion and have an inter-planar separation of 3.53 (1) Å, with a centroid-centroid distance of 3.76 (1) Å. Between stacks, there are C-H⋯O inter-actions to the nitro groups and Cl⋯Cl contacts of 3.462 (1) Å.

| S-EPMC2960992 | biostudies-literature

Methyl 2-meth-oxy-4-{[2-(4-nitro-phen-yl)hydrazinyl-idene]meth-yl}benzoate.

Project description:The mol-ecule of the title Schiff base compound, C(16)H(15)N(3)O(5), obtained from a condensation reaction of 4-acet-oxy-3-meth-oxy-benzaldehyde and 4-nitro-phenyl-hydrazine, adopts an E geometry with respect to the C=N double bond. The mol-ecule is roughly planar, with the two benzene rings twisted slightly with respect to each other by a dihedral angle of 6.90 (9)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds link centrosymmetrically related pairs of mol-ecules, forming dimers of R(2) (2)(22) graph-set motif. The dimers are further connected through slipped π-π inter-actions between symmetry-related benzene rings [centroid-centroid distance of 3.646 (1) Å, offset angle of 15.4°].

| S-EPMC2983317 | biostudies-literature

N-(4-Meth-oxy-phen-yl)-2,6-dimethyl-1,3-dioxan-4-amine.

Project description:In the title compound, C13H19NO3, the dioxane ring adopts a chair conformation. Its mean plane is inclined to the 4-meth-oxy-phenyl ring by 70.34?(9)°. In the crystal, mol-ecules are linked by pairs of C-H?O hydrogen bonds, forming inversion dimers with an R (2) 2(16) ring motif. The dimers are linked via C-H?? inter-actions, forming two-dimensional networks lying parallel to the ac plane.

| S-EPMC3884457 | biostudies-literature

2,6-Dimethyl-N-(2-methyl-phen-yl)-1,3-dioxan-4-amine.

Project description:In the title compound, C13H19NO2, the dioxane ring adopts a chair conformation and its mean plane makes a dihedral angle of 45.36?(8)° with the phenyl ring. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers with R (2) 2(12) ring motifs. These dimers are consolidated by pairs of C-H?O hydrogen bonds with R (2) 2(8) ring motifs.

| S-EPMC3790422 | biostudies-literature

2-[Hy-droxy(4-meth-oxy-phen-yl)methyl-idene]indane-1,3-dione.

Project description:In the title compound, C(17)H(12)O(4), there is an intra-molecular O-H?O hydrogen bond. The dihedral angle between the indane ring system [maximun deviation = 0.023?(2)?Å] and the benzene ring is 37.42?(9)°.

| S-EPMC3379464 | biostudies-literature

Crystal structure of (E)-2-({[2-(1,3-dioxan-2-yl)phen-yl]imino}-meth-yl)phenol.

Project description:The title compound, C17H17NO3, prepared by the condensation reaction of 2-(1,3-dioxan-2-yl)aniline and salicyl-aldehyde, has an E conformation about the C=N bond. The six-membered O-heterocycle adopts a chair conformation, with the bond to the aromatic ring located at its equatorial position. The dihedral angle between the aromatic rings is 36.54?(9)°. There is an intra-molecular N-H?O hydrogen bond forming an S(6) ring motif. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming chains along the a-axis direction. Within the chains, there are C-H?? inter-actions involving adjacent mol-ecules.

| S-EPMC4420126 | biostudies-literature

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