Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-Chloro-8-hydr-oxy-6-methyl-1,4-naphthoquinone.

ABSTRACT: The mol-ecule of the title compound, C(11)H(7)ClO(3), is planar, with a maximum deviation of 0.0383?(10)?Å from the naphthoquinone plane. An intra-molecular O-H?O hydrogen bond generates an S(6) ring motif. The crystal packing is stabilized by inter-molecular C-H?O hydrogen bonds. Short intra-molecular Cl?O [2.8234?(8)?Å] and O?O [2.5530?(11)?Å], and inter-molecular Cl?Cl [3.2777?(3)?Å] contacts further stabilize the crystal structure.

SUBMITTER: Tan DT

PROVIDER: S-EPMC2969072 | biostudies-literature | 2009

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

5-Chloro-8-hydr-oxy-6-methyl-1,4-naphthoquinone.

Tan Daniel Teoh-Chuan DT Osman Hasnah H Kamaruddin Azlina Harun AH Jebas Samuel Robinson SR Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20090325 Pt 4

The mol-ecule of the title compound, C(11)H(7)ClO(3), is planar, with a maximum deviation of 0.0383 (10) Å from the naphthoquinone plane. An intra-molecular O-H⋯O hydrogen bond generates an S(6) ring motif. The crystal packing is stabilized by inter-molecular C-H⋯O hydrogen bonds. Short intra-molecular Cl⋯O [2.8234 (8) Å] and O⋯O [2.5530 (11) Å], and inter-molecular Cl⋯Cl [3.2777 (3) Å] contacts further stabilize the crystal structure. ...[more]

PMID: 21582583

Similar Datasets

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 π-π 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⋯π inter-actions.

| S-EPMC2962149 | biostudies-literature

2-Chloro-3-(4-chloro-benzamido)-1,4-naphthoquinone.

Project description:The naphthoquinone ring is almost perpendicular [dihedral angle 71.02?(3)°] to the phenyl group of the title compound, C(17)H(9)Cl(2)NO(3), while the dihedral angle between the amide group and the 4-chloro-phenyl ring is 21.9?(2)°. The conformation of the N-H and C=O bonds are anti to each other. N-H?Cl hydrogen bonds link the mol-ecules into chains in the a-axis direction. In addition, these chains are linked by weak inter-molecular C-H?O inter-actions.

| S-EPMC2967976 | biostudies-literature

N'-(2-Chloro-benzyl-idene)-2-hydr-oxy-3-methyl-benzohydrazide.

Project description:In the title compound, C(15)H(13)ClN(2)O(2), the dihedral angle between the two benzene rings is 3.4?(5)° and the mol-ecule adopts an E configuration with respect to the C=N bond. There is an intra-molecular O-H?O hydrogen bond in the mol-ecule, which generates an S(6) loop. In the crystal structure, mol-ecules are linked through inter-molecular N-H?O hydrogen bonds, forming C(4) chains running along the a axis.

| S-EPMC2979247 | biostudies-literature

6-Chloro-N'-(2-hydr-oxy-1-naphthyl-methyl-ene)nicotinohydrazide.

Project description:The title compound, C(17)H(12)ClN(3)O(2), was synthesized by the Schiff base condensation reaction of 2-hydr-oxy-1-naphthaldehyde with 6-chloro-nicotinic acid hydrazide in a methanol solution. The mol-ecule displays a trans configuration with respect to the C=N and C-N bonds. The dihedral angle between the naphthyl ring system and the pyridine ring is 7.6 (4)°. There is an intra-molecular O-H⋯N hydrogen bond. The crystal structure is stabilized by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, forming chains running along the b axis.

| S-EPMC2915218 | biostudies-literature

4-(8-Hydr-oxy-3-methyl-1,4-dioxo-1,4-dihydro-2-naphth-yl)butanoic acid.

Project description:In the title compound, C(15)H(14)O(5), an intramolecular O-H?O hydrogen bond occurs. In the crystal, the molecules form inversion dimers linked by pairs of O-H?O bonds, which are further linked by C-H?O interactions.

| S-EPMC2971191 | biostudies-literature

4-Chloro-7-hydr-oxy-6-methyl-1,7-naphthyridin-8(7H)-one.

Project description:The title compound, C(9)H(7)ClN(2)O(2), was prepared by reaction of methyl 4-chloro-3-(prop-1-yn-yl)picolinate with hydroxy-l-amine in MeOH/KOH solution. The two essentially planar mol-ecules which make up the asymmetric unit have almost identical geometries and and are linked into dimeric aggregates via pairs of O-H?O hydrogen bonds. These aggregates have almost perfect inversion symmetry; however, quite unusually, the inversion center of the dimer does not coincide with the crystallographic inversion center.

| S-EPMC2972179 | biostudies-literature

(E)-2-Chloro-N'-(2-hydr-oxy-1-naphthyl-methyl-ene)benzohydrazide.

Project description:In the structue of the title compound, C(18)H(13)ClN(2)O(2), a new Schiff base, the dihedral angle between the benzene and naphthyl ring system mean planes is 22.5 (2)°. The mol-ecule has an E configuration about the C=N bond, and an intra-molecular hydrogen bond involving the hydoxyl substituent on the naphthyl ring and the N' atom of the hydrazide. The crystal structure is stabilized by inter-molecular N-H⋯O hydrogen bonds, forming one-dimensional chains running parallel to the a axis.

| S-EPMC2959739 | biostudies-literature

The cocrystal 2-hydr-oxy-4-methyl-N-propanoylbenzohydrazide-2-hydr-oxy-N-(2-hydr-oxy-4-methyl-benzo-yl)-6-methyl-benzohydrazide (2/1).

Project description:The asymmetric unit of the title compound, 2C(11)H(14)N(2)O(3)·C(16)H(16)N(2)O(4), contains one mol-ecule of 2-hydr-oxy-4-methyl-N-propanoylbenzohydrazide and one-half of a mol-ecule of 2-hydr-oxy-N-(2-hydr-oxy-4-methyl-benzo-yl)-6-methyl-benzohydrazide. The latter is located on a centre of inversion. Intra-molecular N-H⋯O inter-actions stabilize the conformations of both mol-ecules. The crystal structure is stabilized by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds.

| S-EPMC2959582 | biostudies-literature

Methyl 5-chloro-2-hydr-oxy-3-(4-methoxy-phen-yl)-4,6-dimethyl-benzoate.

Project description:In the title compound, C(17)H(17)ClO(4), the dihedral angle between the mean planes of the two benzene rings is 65.92 (5)°. The methyl ester group lies within the ring plane [deviations of O atoms from the plane = -0.051 (2) and 0.151 (2) Å] due to an intra-molecular O-H⋯O hydrogen bond. In the crystal, mol-ecules are held together by rather weak non-classical inter-molecular C-H⋯O hydrogen bonds, resulting in dimeric units about inversion centers, forming eight- and ten-membered ring systems as R(2) (2)(8) and R(2) (2)(10) motifs.

| S-EPMC2969919 | biostudies-literature

2-Hydr-oxy-N'-[(1Z)-1-(2-hydr-oxy-5-methyl-phen-yl)-2-methyl-propyl-idene]benzohydrazide.

Project description:The title compound, C(18)H(20)N(2)O(3), adopts a cis conformation with respect to the C=N double bond. The crystal structure is stabilized by intra-molecular N-H⋯O and inter-molecular O-H⋯O hydrogen bonds.

| S-EPMC2915260 | 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