Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-[1-(4-Bromo-phen-yl)-2-nitro-eth-yl]hexa-noic acid.

ABSTRACT: In the crystal structure of the title compoud, C14H18BrNO4, mol-ecules are linked by a strong O-H?O hydrogen bond and weaker C-H?O inter-actions. The benzene ring makes dihedral angles of 3.67?(3) and 72.63?(3)° with the carb-oxy-lic acid group and the nitro group, respectively.

SUBMITTER: Zhang Y

PROVIDER: S-EPMC4011287 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-[1-(4-Bromo-phen-yl)-2-nitro-eth-yl]hexa-noic acid.

Zhang Yanpeng Y Zhang Can C Xia Ai-Bao AB

Acta crystallographica. Section E, Structure reports online 20140405 Pt 5

In the crystal structure of the title compoud, C14H18BrNO4, mol-ecules are linked by a strong O-H⋯O hydrogen bond and weaker C-H⋯O inter-actions. The benzene ring makes dihedral angles of 3.67 (3) and 72.63 (3)° with the carb-oxy-lic acid group and the nitro group, respectively. ...[more]

PMID: 24860332

Similar Datasets

(2S,4R)-2-[(1R)-1-(4-Bromo-phen-yl)-2-nitro-eth-yl]-4-ethyl-cyclo-hexa-none.

Project description:The crystal structure of the title compound, C(16)H(20)BrNO(3), contains three chiral centers in the configuration 1R,2S,6R. The cyclo-hexane ring is in a chair conformation. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions, forming chains along the a-axis direction.

| S-EPMC3569793 | biostudies-literature

1-[2-(2-Bromo-phen-yl)eth-yl]-4-chloro-2-nitro-benzene.

Project description:In the title mol-ecule, C(14)H(11)BrClNO(2), the dihedral angle between the mean planes of the bromo-substitued benzene and the chloro-substituted benzene rings is 1.8?(4) °. The nitro group is twisted by 15.8?(6)° from the mean plane of the benzene ring to which it is attached. The crystal packing is influenced by weak inter-molecular C-H?O inter-actions and weak ?-? stacking inter-actions [centroid-centroid distances = 3.903?(2), 3.596?(2) and 3.903?(2)?Å].

| S-EPMC3011469 | biostudies-literature

(5-Bromo-2-methyl-phen-yl)(4-eth-oxy-phen-yl)methanone.

Project description:In the title compound, C(16)H(15)BrO(2), the dihedral angle between the benzene rings is 68.5?(2)°. In the crystal structure, mol-ecules are linked by weak C-H?O hydrogen bonds into chains parallel to the b axis.

| S-EPMC3007335 | biostudies-literature

2,5-Bis(4-methyl-phen-yl)-4-oxopenta-noic acid.

Project description:The title compound, C(19)H(20)O(3), was obtained from 1,4-bis-(4-methyl-phen-yl)but-3-yn-2-one in the presence of carbon monoxide by Ni(CN)(2) catalysis in a basic aqueous medium. Inter-molecular O-H⋯O hydrogen bonds lead to the formation of hydrogen-bonded carb-oxy-lic acid dimers [graph-set motif R(2) (2)(8)]. Weak C-H⋯O hydrogen bonds between neighbouring dimers further extend the structure to give rise to a three-dimensional supra-molecular network.

| S-EPMC2983153 | 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

4-Bromo-N-(2-nitro-phen-yl)benzamide.

Project description:The title nitro-phenyl benzamide, C13H9BrN2O3, with two mol-ecules in the asymmetric unit, has dihedral angles of 16.78 (15) and 18.87 (14)° between the benzene rings. An intra-molecular N-H⋯O hydrogen bond is observed in each mol-ecule. In the crystal, the molecules are linked by weak C-H⋯O inter-actions; halogen-halogen inter-actions are also observed [Br⋯Br = 3.4976 (7) Å]. These inter-actions form R (2) 2(10), R (2) 2(15) and R (6) 6(32) edge-fused rings along [010].

| S-EPMC3998505 | biostudies-literature

N-(4-Bromo-phen-yl)-4-nitro-benzamide.

Project description:In the title compound, C(13)H(9)BrN(2)O(3), the dihedral angle between the mean planes of the two benzene rings is 3.6 (7)°. The amide group is twisted by 28.1 (6) and 31.8 (3)° from the mean planes of the 4-bromo-phenyl and 4-nitro-benzene rings, respectively. The crystal packing features weak inter-molecular N-H⋯O and C-H⋯O hydrogen bonds resulting in a three-dimensional network.

| S-EPMC3051426 | biostudies-literature

4-{[1-(4-Bromo-phen-yl)eth-yl]amino-meth-yl}phenol.

Project description:The title compound, C(15)H(16)BrNO, obtained from a two-step reaction, was prepared for use in transition metal chemistry as a phenolic ligand with bulky substituents. Inter-molecular N-H?O and O-H?N hydrogen bonds are present in the crystal structure.

| S-EPMC3213552 | biostudies-literature

4-[(4-Bromo-phen-yl)diazen-yl]-2-eth-oxy-aniline.

Project description:The title compound, C(14)H(14)BrN(3)O, exhibits a trans geometry about the -N=N- double bond. The dihedral angle between the benzene rings is 24.01 (5)°. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, inter-molecular N-H⋯N hydrogen bonds between the amine groups lead to the formation of a C(8) polymeric chain along [101].

| S-EPMC3239036 | biostudies-literature

Crystal structures of 2-(2-bromo-5-fluoro-phen-yl)-8-eth-oxy-3-nitro-2H-thio-chromene and 2-(2-bromo-5-fluoro-phen-yl)-7-meth-oxy-3-nitro-2H-thio-chromene.

Project description:Two thio-chromene com-pounds containing Br and F atoms, namely 2-(2-bromo-5-fluoro-phen-yl)-8-eth-oxy-3-nitro-2H-thio-chromene (C17H13BrFNO3S, A) and 2-(2-bromo-5-fluoro-phen-yl)-7-meth-oxy-3-nitro-2H-thio-chromene (C16H11BrFNO3S, B), were prepared via the condensation reaction between 2-mer-capto-benzaldehyde and nitro-styrene derivatives. In both com-pounds, the thio-chromene plane is almost perpendicular to the phenyl ring. In the structure of A, mol-ecules are assembled via π-π stacking and C-H⋯O and C-F⋯π inter-actions. In the crystal packing of B, mol-ecules are linked by C-H⋯F, C-H⋯O, C-H⋯π and π-π inter-actions.

| S-EPMC6829732 | biostudies-literature

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