Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(2,4-Dinitro-phen-yl)dehydro-abietyl-amine.

ABSTRACT: In the crystal structure of the title compound, C(26)H(33)N(3)O(4), there are two crystallographically independent mol-ecules. The two cyclohexane rings are trans-fused; the ring neighboring the phenyl group is in a half-chair conformation and the other is in a chair conformation. The two nitro groups and the benzene ring of the dinitro-phenyl group are almost coplanar. Intra-molecular N-H⋯O hydrogen bonds and weak inter-molecular C-H⋯O hydrogen bonds are observed.

SUBMITTER: Qiu F

PROVIDER: S-EPMC2961262 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(2,4-Dinitro-phen-yl)dehydro-abietyl-amine.

Qiu Fei F Hong Min M Jiang Dawei D Zhu Jin J Huang Lequn Lee LL

Acta crystallographica. Section E, Structure reports online 20080423 Pt 5

In the crystal structure of the title compound, C(26)H(33)N(3)O(4), there are two crystallographically independent mol-ecules. The two cyclohexane rings are trans-fused; the ring neighboring the phenyl group is in a half-chair conformation and the other is in a chair conformation. The two nitro groups and the benzene ring of the dinitro-phenyl group are almost coplanar. Intra-molecular N-H⋯O hydrogen bonds and weak inter-molecular C-H⋯O hydrogen bonds are observed. ...[more]

PMID: 21202372

Similar Datasets

Bis(2,4-dinitro-phen-yl)sulfane.

Project description:In the title compound, C(12)H(6)N(4)O(8)S, the dinitro-phenyl rings subtend an angle of 78.46?(13) °. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds leading to the formation of a two-dimensional network lying parallel to the bc plane.

| S-EPMC3515221 | biostudies-literature

N'-(2,4-Dinitro-phen-yl)benzohydrazide.

Project description:In the title compound, C(13)H(10)N(4)O(5), the aromatic ring planes are close to perpendicular [dihedral angle = 75.94?(5)°] and the C-N-N-C torsion angle is 88.7?(2)°. Both nitro groups lie close to their attached ring plane, with C-C-N-O torsion angles of 3.1?(2) and 5.3?(2)°. This allows for the formation of an intra-molecular N-H?O hydrogen bond, which closes an S(6) ring. In the crystal, N-H?O hydrogen bonds link the mol-ecules into zigzag chains extending along [100].

| S-EPMC3414336 | biostudies-literature

N'-(2,4-Dinitro-phen-yl)acetohydrazide.

Project description:In the title compound, C(8)H(8)N(4)O(5), the nitro groups ortho and para to the hydrazone group are twisted by 10.0 (2) and 3.6 (2)°, respectively, relative to the aromatic ring. The structure exhibits an intra-molecular N-H⋯O hydrogen bond between the hydrazide and ortho-nitro groups. There is a strong inter-molecular C=O⋯H-N hydrogen bond, giving rise to chains, and weaker ONO⋯NO(2) [2.944 (2) Å] and C-H⋯O-N inter-actions linking the mol-ecules into a three-dimensional network.

| S-EPMC2962072 | biostudies-literature

A second monoclinic polymorph of N-(2,4-dinitro-phen-yl)-2,4-dinitro-aniline.

Project description:The title compound, C(12)H(7)N(5)O(8), was previously described in space group P2(1)/n with Z = 4 [Wu et al. (2007 ▶). Acta Cryst. E63, o4194]. The current monoclinic P2(1)/c polymorph was obtained from a mixed solution of dichloro-methane and hexane. The dihedral angle between the benzene rings is 44.16 (5)°, smaller than in the previously reported polymorph [56.3 (2)°]. As a result of the steric hinderance of the nitro groups, hydrogen bonding is limited intramolecularly. The dihedral angles between the phenyl rings and their attached nitro groups are 18.97 (6) and 17.71 (5)° at the 2-position, and 18.52 (6) and 32.41 (6)° at the 4-position.

| S-EPMC3569221 | biostudies-literature

N-(2,4-Dinitro-phen-yl)-1,3-dimeth-oxy-isoindolin-2-amine.

Project description:In the title compound, C(16)H(16)N(4)O(6), the planes of the isoindole and dinitro-benzene groups make a dihedral angle between of 84.15?(8)°. The N atom of the isoindole group is displaced by 0.2937?(3)?Å from the plane through the remaining atoms. An intra-molecular N-H?O inter-action occurs. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds occur.

| S-EPMC3213429 | biostudies-other

1-[(Bromo-meth-yl)(phen-yl)meth-ylene]-2-(2,4-dinitro-phen-yl)hydrazine.

Project description:The title compound, C(14)H(11)BrN(4)O(4), comprises two crystallographically independent mol-ecules (A and B) in the asymmetric unit. In mol-ecule B, intra-molecular bifurcated N-H⋯O and N-H⋯Br hydrogen bonds and in mol-ecule A, an intra-molecular N-H⋯O hydrogen bond generate S(6) ring motifs. The dihedral angle between the phenyl and benzene rings is 5.44 (6) in mol-ecule A and 7.63 (6)° in mol-ecule B. The ortho- and meta-nitro substituents make dihedral angles of 6.67 (15) and 2.26 (15)° to the attached benzene ring in mol-ecule A and 6.37 (17) and 5.81 (16)° in mol-ecule B. The Br atom in mol-ecule B is disordered over two positions with a refined site-occupancy ratio of 0.61 (3):0.39 (3). Inter-esting features of the crystal structure are the short Br⋯N [3.257 (3)-3.294 (4) Å], Br⋯O [3.279 (3)-3.307 (4) Å] and O⋯O [2.9319 (16)-2.9995 (16) Å] contacts, which are shorter than the sum of the van der Waals radii of these atoms. The crystal structure is further stabilized by inter-molecular C-H⋯O and π-π inter-actions [centroid-centroid distances = 3.6643 (8)-3.8514 (8) Å].

| S-EPMC2969738 | biostudies-literature

Methyl 2,2-bis-(2,4-dinitro-phen-yl)ethano-ate.

Project description:In the title compound, C(15)H(10)N(4)O(10), the dihedral angle between the aromatic rings is 89.05?(16)°. One O atom of one of the nitro groups is disordered over two sites in a 0.70:0.30 ratio. In the crystal, the mol-ecules are linked by weak C-H?O inter-actions.

| S-EPMC3201509 | biostudies-literature

(E)-1-(2,4-Dinitro-phen-yl)-2-pentyl-idenehydrazine.

Project description:The title compound, C(11)H(14)N(4)O(4), is essentially planar with an r.m.s. deviation for the 19 non-H atoms of 0.152?Å. The conformation about the C=N bond is E, and the mol-ecule has a U-shape as the butyl group folds over towards the aromatic system. An intra-molecular C-H?N inter-action occurs. The crystal packing is dominated by N-H?O hydrogen bonding and C-H?O contacts, leading to twisted zigzag supra-molecular chains along the c direction. The crystal packing brings two nitro O atoms into an unusually close proximity of 2.686?(4)?Å. While the nature of this inter-action is not obvious, there are several precendents for such short nitro-nitro O?O contacts of less than 2.70?Å in the crystallographic literature.

| S-EPMC2979683 | biostudies-literature

2-[2-(2,4-Dinitro-phen-yl)eth-yl]-1,3,5-trinitro-benzene.

Project description:In the title compound, C(14)H(9)N(5)O(10), the two benzene rings are inclined at a dihedral angle of 14.81 (5)°, and the nitro groups are twisted with respect to the benzene rings to which they are attached, making dihedral angles of 57.89 (7), 14.93 (7), 62.58 (7), 2.80 (12) and 22.38 (12)°. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC3247314 | biostudies-literature

1-(2,4-Dinitro-phen-yl)-3,3-dinitro-azetidine.

Project description:In the title compound, C(9)H(7)N(5)O(8), the dihedral angle between the mean plane of the azetidine ring and that of the benzene ring is 26.1?(1)°; the planes of the two nitro groups of the azetidine ring are aligned at 88.7?(1)°.

| S-EPMC2971829 | biostudies-other

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data