Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Carbamoylpiperidinium 5-nitro-salicylate.

ABSTRACT: In the crystal structure of the title compound, C(6)H(13)N(2)O(+)·C(7)H(4)NO(5) (-), the isonipecotamide cations and the 5-nitro-salicylate anions form hydrogen-bonded chain substructures through head-to-tail piperidinium-carboxyl-ate N-H?O hydrogen bonds and through centrosymmetric cyclic head-to-head amide-amide hydrogen-bonding associations [graph set R(2) (2)(8)]. These chains are cross-linked by amide-carboxyl-ate N-H?O and piperidinium-nitro N-H?O associations, giving a sheet structure.

SUBMITTER: Smith G

PROVIDER: S-EPMC3050397 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Carbamoylpiperidinium 5-nitro-salicylate.

Smith Graham G Wermuth Urs D UD

Acta crystallographica. Section E, Structure reports online 20101215 Pt 1

In the crystal structure of the title compound, C(6)H(13)N(2)O(+)·C(7)H(4)NO(5) (-), the isonipecotamide cations and the 5-nitro-salicylate anions form hydrogen-bonded chain substructures through head-to-tail piperidinium-carboxyl-ate N-H⋯O hydrogen bonds and through centrosymmetric cyclic head-to-head amide-amide hydrogen-bonding associations [graph set R(2) (2)(8)]. These chains are cross-linked by amide-carboxyl-ate N-H⋯O and piperidinium-nitro N-H⋯O associations, giving a sheet structure. ...[more]

PMID: 21522633

Similar Datasets

4-(4-Nitro-benz-yl)pyridinium 5-nitro-salicylate.

Project description:In the title salt, C(12)H(11)N(2)O(2) (+)·C(7)H(4)NO(5) (-), the cations and anions inter-act through asymmetric cyclic pyridinium-carboxyl-ate N-H?O,O' hydrogen-bonding associations [graph set R(1) (2)(4)], giving discrete heterodimers having weak cation-anion ?-? aromatic ring inter-actions [minimum ring centroid separation = 3.7116?(9)?Å].

| S-EPMC2979186 | biostudies-literature

4-Carbamoylpiperidinium acetate monohydrate.

Project description:In the structure of the title compound, C(6)H(13)N(2)O(+)·C(2)H(3)O(2) (-)·H(2)O, the amide H atoms of the cations form centrosymmetric cyclic hydrogen-bonding associations incorporating two water mol-ecules [graph set R(4) (2)(8)], which are conjoint with cyclic water-bridged amide-amide associations [R(4) (4)(12)] and larger R(4) (4)(20) associations involving the water mol-ecule and the acetate anions, which bridge through the piperidinium H-bond donors, giving an overall three-dimensional framework structure.

| S-EPMC3011593 | biostudies-literature

4-Carbamoylpiperidinium phenyl-acetate hemihydrate.

Project description:The asymmetric unit of the title compound, C(6)H(13)N(2)O(+)·C(8)H(7)O(2) (-)·0.5H(2)O, comprises two isonipecotamide cations, two phenyl-acetate anions and a water mol-ecule of solvation. The hydrogen-bonding environments for both sets of ion pairs are essentially identical with the piperidinium and amide 'ends' of each cation involved in lateral heteromolecular hydrogen-bonded cyclic N-H?O associations [graph set R(2) (2)(11)] which incorporate a single carboxyl O-atom acceptor. These cyclic motifs enclose larger R(5) (5)(21) cyclic systems, forming sheet substructures which lie parallel to (101) and are linked across b by the single water mol-ecule via water O-H?O(c) (c = carboxylate) associations, giving a duplex-sheet structure.

| S-EPMC3011685 | biostudies-literature

Bis(4-carbamoylpiperidinium) biphenyl-4,4'-disulfonate.

Project description:In the title isonipecotamide salt 2C(6)H(13)N(2)O(+)·C(12)H(8)O(6)S(2) (2-), the asymmetric unit comprises one biphenyl-4,4'-disulfonate dianion which lies across a crystallographic inversion centre and another in a general position [dihedral angle between the two phenyl rings is 37.1?(1)°], together with three isonipecotamide cations. Two of these cations give a cyclic homomeric amide-amide dimer inter-action [graph set R(2) (2)(8)], the other giving a similar dimeric inter-action but across an inversion centre, both dimers then forming lateral cyclic R(4) (2)(8) pyrimidinium-amide N-H?O inter-actions. These units are linked both laterally and longitudinally to the sulfonate groups of the dianions through piperidinium N-H?O hydrogen bonds, giving a three-dimensional framework structure.

| S-EPMC3011572 | biostudies-literature

Crystal structure of 4-[(5-methyl-isoxazol-3-yl)amino-sulfon-yl]anilinium 3,5-di-nitro-salicylate.

Project description:The title mol-ecular salt, C10H12N3O3S(+)·C7H3N2O7 (-), protonation occurs at the amino N atom attached to the benzene ring of sulfamethoxazole. In the anion, there is an intra-molecular O-H?O hydrogen bond and the cation is linked to the anion by an N-H?O hydrogen bond. In the extended structure, the cations and anions are linked via N-H?O, N-H?N and C-H?O hydrogen bonds, forming a three-dimensional framework.

| S-EPMC4459324 | biostudies-literature

Cyclo-benzaprinium salicylate.

Project description:In the title mol-ecular salt [systematic name: 3-(5H-di-benzo[a,d]cyclo-hepten-5-yl-idene)-N,N-dimethyl-1-propanaminium 2-hy-droxy-benzoate], C(20)H(22)N(+)·C(7)H(5)O(3) (-), the benzene rings of the cyclo-benzaprinium cation are inclined with a dihedral angle of 61.66?(7)°. An intra-molecular O-H?O hydrogen bond occurs within the salicylate anion, generating an S(6) ring. In the crystal, the cation and anion are linked by an N-H?O inter-action.

| S-EPMC3152117 | biostudies-literature

rac-4-Carbamoylpiperidinium cis-2-car-boxy-cyclo-hexane-1-carboxyl-ate.

Project description:In the title racemic salt, C(6)H(13)N(2)O(+)·C(8)H(11)O(4) (-), formed from the reaction of cis-cyclo-hexane-1,2-dicarb-oxy-lic anhydride with isonipecotamide, the cations are linked into duplex chain substructures through both centrosymmetric cyclic head-to-head 'amide motif' hydrogen-bonding associations [graph set R(2) (2)(8)] and 'side-by-side' R(2) (2)(14) associations. The anions are incorporated into the chains through cyclic R(4) (3)(10) inter-actions involving amide and piperidinium N-H?O(carbox-yl) hydrogen bonds which, together with inter-anion carb-oxy-lic acid O-H?O(carbox-yl) hydrogen bonds, give a two-dimensional layered structure extending along (011).

| S-EPMC3295451 | biostudies-literature

Cinnarizinium 3,5-dinitro-salicylate.

Project description:THE TITLE COMPOUND [SYSTEMATIC NAME: 4-diphenyl-methyl-1-(3-phenylprop-2-en-1-yl)-piperazin-1-ium 2-carb-oxy-4,6-dinitro-pheno-late], C(26)H(29)N(2) (+)·C(7)H(3)N(2)O(7) (-), is the dinitro-salicylate salt of a tertiary amine. Deprotonation of the carb-oxy-lic acid group occurred on the phenolic hy-droxy group. The diaza-cyclo-hexane ring adopts a chair conformation. Intra-molecular O-H?O and inter-molecular C-H?O and N-H?O hydrogen bonds are observed. The N-H?O hydrogen bonds are bifurcated at the H atom and connect the cinnarizinium and 3,5-dinitro-salicylate ions together. Inter-molecular C-H?O hydrogen bonds connect the components into layers perpendicular to the crystallographic a axis.

| S-EPMC3344107 | biostudies-literature

Chronic Salicylate Toxicity Simulation.

Project description:IntroductionChronic salicylate toxicity is an uncommon, potentially life-threatening poisoning that requires high clinical suspicion in order to make the diagnosis. We created a simulation case that challenges learners to analyze case information, construct a differential diagnosis of an elevated anion gap metabolic acidosis with respiratory alkalosis, and initiate treatment for this toxicity.MethodsThe simulation case was designed for emergency medicine residents and pediatric emergency medicine fellows. The activity began with a brief overview of the monitors, equipment, and simulation experience. For interns, a team of two learners comanaged the case; for senior learners, the case was managed solo. The learners had 15 minutes to complete a focused history and physical exam, request and interpret labs and studies, and initiate specific treatments. The simulation was followed by a 15-minute facilitated debrief session that included an overview of key learning points and learner performance based on an evaluation checklist.ResultsResidents completed a postparticipation questionnaire consisting of six questions rated on a 5-point Likert scale. Overall, residents reported a high degree of satisfaction with the simulation experience. The case and debrief were effective in meeting the educational objectives and proved to be an effective modality to fill this educational gap.DiscussionThis simulation exercise was effective in showing residents the uncommon presentation of chronic salicylate toxicity. Learners reported increased confidence in recognizing and managing this ingestion. The simulation experience closed an identified education gap and provided an experiential learning opportunity that accomplished the targeted learning objectives.

| S-EPMC6342349 | biostudies-literature

Ammonium salicylate: a synchrotron study.

Project description:The structure of the title salt, NH(4) (+)·C(7)H(5)O(3) (-), is stabilized by substantial hydrogen bonding between ammonium cations and salicylate anions that links the components into a two-dimensional array.

| S-EPMC2970122 | 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