Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-[(4-Meth-oxy-benzene-sulfonamido)-meth-yl]cyclo-hexane-1-carb-oxy-lic acid.

ABSTRACT: In the title compound, C(15)H(21)NO(5)S, two crystallographically independent mol-ecules are linked into a dimer by a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. In the crystal, mol-ecules are further linked by inter-molecular O-H⋯O hydrogen bonds into a two-dimensional network parallel to (012). Additional stabilization is provided by weak inter-molecular C-H⋯O hydrogen bonds.

SUBMITTER: Ashfaq M

PROVIDER: S-EPMC3200917 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Crystal structure of 4-{[(2,4-di-hydroxy-benzyl-idene)amino]-meth-yl}cyclo-hexane-carb-oxy-lic acid.

Project description:In the title compound, C15H19NO4, the cyclo-hexyl ring adopts a chair conformation with both exocyclic C-C bonds in equatorial orientations. The dihedral angle between the basal plane of cyclo-hexyl ring and the 2,4-di-hydroxy-benzaldehyde moiety is 84.13 (13)°. An intra-molecular O-H⋯N hydrogen bonds closes an S(6) ring. In the crystal, Oc-H⋯Op (c = carb-oxy-lic acid, p = phenol) hydrogen bonds link the mol-ecules into [100] C(13) chains whereas an Op-H⋯Oc hydrogen bond generates [101] C(15) chains. Together, these bonds generate (010) sheets incorporating R 2 (2)(20) loops. Weak C-H⋯O and C-H⋯π inter-actions also occur.

| S-EPMC4719941 | biostudies-literature

4-[(4-Methyl-benzene-sulfonamido)-meth-yl]cyclo-hexa-necarb-oxy-lic acid.

Project description:The title compound, C(15)H(21)NO(4)S, crystallized with two independent mol-ecules in the asymmetric unit in which the dihedral angles between the mean planes of the benzene and cyclo-hexane rings are 78.3?(2) and 67.6?(2)°. The substituents of the cyclo-hexyl rings are in equatorial orientations. In the crystal, both mol-ecules form R(2) (2)(6) carb-oxy-lic acid inversion dimers via pairs of O-H?O hydrogen bonds. Further N-H?O and C-H?O inter-actions generate a three-dimensional network.

| S-EPMC3151904 | biostudies-other

(1S*,2S*,4R*,5R*)-Cyclo-hexane-1,2,4,5-tetra-carb-oxy-lic acid.

Project description:The title compound, C10H12O8, a prospective raw material for colourless polyimides which are applied to electronic and microelectronic devices, lies about an inversion centre and the cyclo-hexane ring adopts a chair conformation. Two crystallographycally independent carb-oxy-lic acid groups on adjacent C atoms are in equatorial positions, resulting in a mutually trans conformation. In the crystal, O-H?O hydrogen bonds around an inversion centre and a threefold rotoinversion axis, respectively, form an inversion dimer with an R 2 (2)(8) motif and a trimer with an R 3 (3)(12) motif.

| S-EPMC3914102 | biostudies-literature

4,4'-Bipyridine-cyclo-hexane-1,2,4,5-tetra-carb-oxy-lic acid (1/1).

Project description:In the title 1:1 adduct, C(10)H(8)N(2)·C(10)H(12)O(8), the dihedral angle between the pyridine rings in the 4,4-bipyridine molecule is 8.33 (13)°. In the crystal, the cyclo-hexane-1,2,4,5-tetra-carb-oxy-lic acid mol-ecules inter-act with each other through inter-molecular O-H⋯O hydrogen bonds, forming an infinite chain along the a axis, which is further linked perpendicularly by O-H⋯N hydrogen bonds involving bipyridine, resulting in a supra-molecular corrugated sheet parallel to the (110) plane.

| S-EPMC3009091 | biostudies-literature

1-Cyclo-hexyl-5-(4-meth-oxy-phen-yl)-1H-pyrazole-4-carb-oxy-lic acid.

Project description:In the title compound, C(17)H(20)N(2)O(3), the meth-oxy-phenyl unit is disordered over two sets of sites in a 0.715?(4):0.285?(4) ratio. The pyrazole ring forms dihedral angles of 55.88?(16) and 72.6?(4)° with the benzene rings of its major and minor components, respectively. The cyclo-hexane ring adopts a chair conformation and its C-N bond is in an equatorial orientation. In the crystal, mol-ecules are linked into inversion dimers by pairs of O-H?O hydrogen bonds, generating R(2) (2)(8) loops.

| S-EPMC3239134 | biostudies-literature

rac-4-(2-Meth-oxy-phen-yl)-2,6-dimethyl-cyclo-hex-3-ene-carb-oxy-lic acid.

Project description:The title compound, C(16)H(20)O(3), was synthesized to study the hydrogen-bonding inter-actions of the two enanti-omers in the solid state. Inter-molecular O-H⋯O hydrogen bonds produce centrosymmetric R(2) (2)(8) rings which dimerize the two chiral enanti-omers together through their carboxyl groups.

| S-EPMC2979589 | biostudies-literature

5-(Hy-droxy-meth-yl)furan-2-carb-oxy-lic acid.

Project description:In the title compound, C(6)H(6)O(4), the furan ring is nearly coplanar with the carboxyl group, the maximum atomic deviation being 0.0248?(9)?Å. The crystal packing is stabilized by classical O-H?O and weak C-H?O hydrogen bonding.

| S-EPMC3120284 | biostudies-literature

3-(4-Meth-oxy-phen-yl)-5-methylisoxazole-4-carb-oxy-lic acid.

Project description:In the title compound, C12H11NO4, the dihedral angle between the benzene and isoxazole rings is 42.52?(8)°. The carb-oxy-lic acid group is close to being coplanar with the isoxazole ring [dihedral angle = 5.3?(2)°]. In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds generate R2(2)(8) loops.

| S-EPMC3588455 | biostudies-literature

2-{1-[(2-Nitro-benzene-sulfonamido)-meth-yl]cyclo-hexyl}acetic acid.

Project description:In the title compound, C(15)H(20)N(2)O(6)S, the C-SO(2)-NH-C torsion angle is 64.54?(14)°. In the mol-ecule, there is a bifurcated N-H?(O,O) hydrogen bond, forming S(7) rings. In the crystal, inversion dimers are formed via O-H?O hydrogen bonds involving the carboxyl group, so forming R(2) (2)(8) rings. These dimers are further linked via pairs of C-H?O hydrogen bonds, forming a C(6) chain propagating along the c-axis direction.

| S-EPMC3254438 | biostudies-literature

5-[(1H-Benzimidazol-1-yl)meth-yl]benzene-1,3-dicarb-oxy-lic acid.

Project description:Crystals of the title compound, C(16)H(12)N(2)O(4), were obtained accidentally from a hydro-thermal reaction of 5-[(1H-benzimidazol-1-yl)meth-yl]isophthalic acid with manganese bromide in the presence of N,N'-dimethyl-formamide. In the title mol-ecule, the benzimidazole ring system is almost planar, with a maximum deviation from the mean plane of 0.010 (2) Å. The benzimidazole and central benzene rings are inclined at a dihedral angle of 71.7 (6)°. The crystal structure is stabilized by O-H⋯N and O-H⋯O hydrogen bonds.

| S-EPMC3238952 | 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