Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Hydr-oxy-5-nitro-benzamide.

ABSTRACT: In the title compound, C(7)H(6)N(2)O(4), an intra-molecular O-H?O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds occur. Weak C-H?O links consolidate the packing, leading to R(2) (1)(7) and R(2) (2)(10) loops within (100) polymeric sheets.

SUBMITTER: Raza AR

PROVIDER: S-EPMC2971888 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-Hydr-oxy-5-nitro-benzamide.

Raza Abdul Rauf AR Tahir M Nawaz MN Nisar Bushra B Danish Mohammad M Iqbal Mohammad S MS

Acta crystallographica. Section E, Structure reports online 20091128 Pt 12

In the title compound, C(7)H(6)N(2)O(4), an intra-molecular O-H⋯O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds occur. Weak C-H⋯O links consolidate the packing, leading to R(2) (1)(7) and R(2) (2)(10) loops within (100) polymeric sheets. ...[more]

PMID: 21578956

Similar Datasets

2-Hydr-oxy-3-nitro-benzamide.

Project description:The asymmetric unit of title compound, C(7)H(6)N(2)O(4), contains two mol-ecules, one of which has a disordered nitro group with an occupancy ratio of 0.517?(9):0.483?(9) for the O atoms. Both mol-ecules contain an intra-molecular O-H?O hydrogen bond. In the crystal, both mol-ecules form inversion dimers linked by pairs of N-H?O hydrogen bonds, resulting in R(2) (2)(8) ring motifs. The dimers are connected by further N-H?O links and weak C-H?O inter-actions, resulting in a layered motif.

| S-EPMC2969278 | biostudies-literature

2-Hydr-oxy-3-nitro-N-phenyl-benzamide.

Project description:The asymmetric unit of the title compound, C(13)H(10)N(2)O(4), contains two crystallographically independent mol-ecules. The aromatic rings are oriented at dihedral angles of 24.39?(3) and 7.47?(3)° in the two mol-ecules and intra-molecular N-H?O and O-H?O hydrogen bonds result in the formation of two planar six-membered rings. In the crystal structure, inter-molecular O-H?O and C-H?O hydrogen bonds link the mol-ecules into chains, forming R(2) (2)(10) ring motifs. Weak ?-? contacts between the benzene and phenyl rings [centroid-centroid distance = 3.955?(3)?Å] may further stabilize the structure.

| S-EPMC2977725 | biostudies-literature

4-Hydr-oxy-3-nitro-benzaldehyde.

Project description:The hydroxyl group in each of the two independent mol-ecules of the title compound, C(7)H(5)NO(4), participates in two O-H?O hydrogen bonds, viz. one intra-molecular bond to the nitro group and one inter-molecular bond to the aldehyde group of the same mol-ecule in the next unit, resulting in a linear chain structure. The dihedral angle between the aromatic ring and the nitro group is 10.9?(3)° in one mol-ecule and 9.9?(2)° in the other.

| S-EPMC2961275 | biostudies-literature

3-Hydr-oxy-N'-(5-hydr-oxy-2-nitro-benzyl-idene)-2-naphthohydrazide.

Project description:The mol-ecule of the title compound, C(18)H(13)N(3)O(5), displays an E configuration with respect to the C=N double bond. The dihedral angle between the benzene ring and the naphthyl system is 1.1?(2)°. In the crystal structure, mol-ecules are linked through inter-molecular N-H?O and O-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC2971756 | biostudies-literature

4-Hydr-oxy-3-meth-oxy-5-nitro-aceto-phenone (5-nitro-apocynin).

Project description:The title mol-ecule, C(9)H(9)NO(5), is close to planar (r.m.s. deviation from the mean plane of the non-H atoms = 0.058 Å). The OH group forms a bifurcated O-H⋯(O,O) hydrogen bond, with the intra-molecular component to a nitro O atom and the inter-molecular component to a keto O atom, the latter resulting in chains along [20]. A C-H⋯O inter-action reinforces the packing.

| S-EPMC2969931 | biostudies-literature

N-(4-Hydr-oxy-3-methoxy-benz-yl)benzamide.

Project description:In the mol-ecular structure of the title compound, C(15)H(15)NO(3), the two benzene rings are twisted with respect to each other, making a dihedral angle of 75.11?(10)°. In the amide fragment, the C=O and C-N bond distances are 1.248?(3) and 1.321?(3)?Å, respectively, indicating electron delocalization. A partially ovelapped arrangement between parallel hydroxy-methoxy-benzene rings is observed in the crystal structure, and the face-to-face distance of 3.531?(16)?Å suggests the existence of weak ?-? stacking. N-H?O and O-H?O hydrogen bonding is also present in the crystal structure.

| S-EPMC2977390 | biostudies-literature

5-Hydr-oxy-8-nitro-1,4-naphthoquinone.

Project description:The title compound, C(10)H(5)NO(5), features an intra-molecular O-H?O hydrogen bond, forming a six-membered ring with an S(6) ring motif. The nitro group makes a dihedral angle of 71.66?(5)° with the plane of the benzene ring to which it is bound. The two rings are almost coplanar, with a dihedral angle of 4.44?(5)°. Short inter-molecular distances between the centroids of the six-membered rings [3.7188?(6)-3.8299?(6)?Å] indicate the existence of ?-? inter-actions. The inter-esting features of the crystal structure are the short inter-molecular O?O and O?N inter-actions. The crystal packing is stabilized by intra-molecular O-H?O and inter-molecular C-H?O (×3) hydrogen bonds, and C-H?? inter-actions.

| S-EPMC2962149 | biostudies-literature

Methyl 2-hydr-oxy-3-nitro-benzoate.

Project description:The title compound, C(8)H(7)NO(5), assumes an approximately planar mol-ecular structure with an intra-molecular O-H?O hydrogen bond between the hydr-oxy and carboxyl-ate groups. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC2969387 | biostudies-literature

3-Hydr-oxy-4-nitro-phenyl acetate.

Project description:In the mol-ecule of the title compound, C(8)H(7)NO(5), the acetate group is oriented with respect to the aromatic ring at a dihedral angle of 85.30 (3)°. An intra-molecular O-H⋯O hydrogen bond results in the formation of a non-planar six-membered ring, adopting an envelope conformation. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules.

| S-EPMC2967961 | biostudies-literature

2-Hydr-oxy-N'-(2-hydr-oxy-3-meth-oxy-5-nitro-benzyl-idene)-3-methyl-benzo-hydrazide.

Project description:In the title compound, C(16)H(15)N(3)O(6), the dihedral angle between the two benzene rings is 0.9?(2)°. The mol-ecule adopts an E configuration with respect to the C=N bond. There are intra-molecular O-H?N and O-H?O hydrogen bonds in the mol-ecule. In the crystal structure, mol-ecules are linked through inter-molecular N-H?O hydrogen bonds to form chains running along the c axis.

| S-EPMC2979167 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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