Browse
Submit Data
Databases
API
Help

Dataset Information

4 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Supra-molecular inter-actions in a 1:1 co-crystal of acridine and 3-chloro-thio-phene-2-carb-oxy-lic acid.

ABSTRACT: In the title co-crystal, C5H3ClO2S·C13H9N, the components inter-act with each other via an O-H?N hydrogen bond. Acridine-acridine stacking, thio-phene-thio-phene stacking and acridine-thio-phene C-H?? inter-actions also occur in the crystal.

SUBMITTER: Prajina O

PROVIDER: S-EPMC4908530 | biostudies-literature | 2016 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Supra-molecular inter-actions in a 1:1 co-crystal of acridine and 3-chloro-thio-phene-2-carb-oxy-lic acid.

Prajina Olakkandiyil O Thomas Muthiah Packianathan P Perdih Franc F

Acta crystallographica. Section E, Crystallographic communications 20160408 Pt 5

In the title co-crystal, C5H3ClO2S·C13H9N, the components inter-act with each other via an O-H⋯N hydrogen bond. Acridine-acridine stacking, thio-phene-thio-phene stacking and acridine-thio-phene C-H⋯π inter-actions also occur in the crystal. ...[more]

PMID: 27308013

Similar Datasets

Supra-molecular inter-actions in the 1:2 co-crystal of 4,4'-bipyridine and 3-chloro-thio-phene-2-carb-oxy-lic acid.

Project description:The asymmetric unit of the title compound, 2C5H3ClO2S·C10H8N2, is comprised of a mol-ecule of 3-chloro-thio-phene-2-carb-oxy-lic acid (3TPC) and half of a mol-ecule of 4,4'-bi-pyridine (BPY). A distinctive O-H⋯N-based synthon is present. Cl⋯Cl and π-π stacking inter-actions further stabilize the crystal structure, forming a two-dimensional network parallel to the bc plane.

| S-EPMC5050753 | biostudies-literature

5-Chloro-1H-indole-3-carb-oxy-lic acid.

Project description:In the title compound, C(9)H(6)ClNO(2), the carboxyl group is twisted from the indole ring system by 9.00?(8)°. In the crystal, inversion dimers linked by pairs of O-H?O hydrogen bonds generate R(2) (2)(8) loops and N-H?O hydrogen bonds link the dimers into (001) sheets. Aromatic ?-? stacking inter-actions [centroid-centroid distance = 3.7185?(12)?A °] are also observed.

| S-EPMC3254488 | biostudies-literature

3-Carb-oxy-methyl-1H-indole-4-carb-oxy-lic acid.

Project description:In the title compound, C(11)H(9)NO(4), the carboxyl group bonded to the six-membered ring lies close to the plane of the 1H-indole ring system [dihedral angle = 13.13?(9)°], whereas the carb-oxy-lic acid group linked to the five-membered ring by a methyl-ene bridge is close to perpendicular [78.85?(9)°]. In the crystal, O-H?O and N-H?O hydrogen bonds link the mol-ecules, generating (110) sheets.

| S-EPMC3254489 | biostudies-literature

Pyrimidine-4-carb-oxy-lic acid.

Project description:The crystal structure of the title compound, C5H4N2O2, is built of acid mol-ecules located on a mirror plane. They form sheets stacked along the b-axis direction. The mol-ecules inter-act via O-H⋯N hydrogen bonds, forming [001] chains, and weak van der Waals inter-actions.

| S-EPMC3685042 | biostudies-literature

2-Amino-5-chloro-pyridinium 2-carb-oxy-benzoate-benzene-1,2-dicarb-oxy-lic acid (3/1).

Project description:The asymmetric unit of the title compound, 3C(5)H(6)ClN(2) (+)·3C(8)H(5)O(4) (-)·C(8)H(6)O(4), contains three independent 2-amino-5-chloro-pyridinium cations, three independent hydrogen phthal-ate anions and one phthalic acid mol-ecule. In the crystal structure, there are two kinds of supra-molecular tapes. One is formed by two independent cations with two anions through N-H⋯O and C-H⋯O hydrogen bonds. Another one is formed by the other cation and anion, and the phthalic acid mol-ecule via N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds. These two tapes are connected by an O-H⋯O hydrogen bond, forming a double-tape structure.

| S-EPMC2983198 | biostudies-literature

(1H-Benzimidazole-5-carb-oxy-lic acid-κN)(1H-benzimidazole-6-carb-oxy-lic acid-κN)silver(I) perchlorate.

Project description:The reaction of 1H-benzimidazole-5-carb-oxy-lic acid with silver nitrate in the presence of perchloric acid under hydro-thermal conditions yielded the title complex, [Ag(C(8)H(6)N(2)O(2))(2)]ClO(4), which comprises of an [Ag(C(8)H(6)N(2)O(2))(2)] mononuclear cation and a perchlorate anion. The Ag(I) ion is coordinated by two N atoms from two different neutral 1H-benzimidazole-5-carb-oxy-lic acid ligands with an N-Ag-N bond angle of 163.21 (14)°, forming an [Ag(C(8)H(6)N(2)O(2))(2)] mononuclear cation. Although both ligands in the mononuclear cation are monodentate with one N atom coordinated to the metal ion, they are different: one is N(3) coordinated to the Ag (I) ion and the N(1) atom protonated, the other with the N(1) coordinated to the Ag (I) ion and the N(3) atom protonated (and thus formally a 1H-benzimidazole-6-carb-oxy-lic acid rather than a 1H-benzimidazole-5-carb-oxy-lic acid ligand). The planes of the two planar ligands are roughly perpendicular, making a dihedral angle of 84.97 (2)°. The packing of the ions is stablized by extensive O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, and by remote Ag⋯O inter-actions [3.002 (3), 3.581 (5) and 3.674 (5) Å].

| S-EPMC3099977 | biostudies-literature

3-(tert-But-oxy-carbon-yl)-2-(4-chloro-phen-yl)-1,3-thia-zolidine-4-carb-oxy-lic acid.

Project description:In the title compound, C(15)H(18)ClNO(4)S, the thia-zolidine ring adopts a twisted conformation about the S-C(methyl-ene) bond. The dihedral angle between the five- and six-membered rings is 77.2 (3)°. In the crystal, the mol-ecules are linked by O-H⋯O hydrogen bonds, generating C(7) chains propagating in [100].

| S-EPMC2983415 | biostudies-literature

Acridine-benzene-1,3,5-tricarb-oxy-lic acid (3/1).

Project description:In the title adduct, 3C(13)H(9)N·C(9)H(6)O(6) or (acr)(3)(btc), associ-ations of one btc and three acr molecules linked by O-H?N hydrogen bonds occur. C-H?O interactions also occur, resulting in a cyclic hydrogen-bonded synthon R(2) (1)(6). The acr mol-ecules and the btc mol-ecules also form slipped or offset ?-? stacking inter-actions [centroid-centroid distances of 3.5212?(17)?Å for btc rings and 3.703?(2) and 3.731?(2)?Å for acr rings]. Together these inter-actions lead to a three-dimensional network.

| S-EPMC3050414 | biostudies-literature

(Quinoline-2-carboxyl-ato-?O)(quinoline-2-carb-oxy-lic acid-?O)bis-(quinoline-2-carb-oxy-lic acid-?N,O)potassium.

Project description:The K atom in the title complex, [K(C(10)H(6)NO(2))(C(10)H(7)NO(2))(3)], lies on a twofold rotation axis that relates one N,O-chelating quinoline-2-carb-oxy-lic acid to the other; their N and O atoms are cis to each other in the distorted octa-hedral coordination geometry. The K atom is also coordinated by another monodentate quinoline-2-carb-oxy-lic acid; the acid is disordered with respect to a monodentate quinoline-2-carboxyl-ate anion; the acid and anion are linked by an O-H?O hydrogen bond. An O-H?N hydrogen bond links adjacent mol-ecules into a linear chain structure along the a axis.

| S-EPMC3007487 | biostudies-literature

4,4'-Bipyridine-2-(carb-oxy-methyl-sulfan-yl)pyridine-3-carb-oxy-lic acid (1/1).

Project description:In the title co-crystal, C(10)H(8)N(2)·C(8)H(7)NO(4)S, the formate group is coplanar with the pyridyl ring of the acid [dihedral angle = 6.2?(7)°], while the carb-oxy-methyl-sulfanyl group makes a C-S-C-C torsion angle of 70.2?(1)° with the pyridine ring. The dihedral angle between the pyridyl rings of the 4,4'-bipyridine mol-ecule is 27.4?(1)°. The acid and the 4,4'-bipyridine mol-ecules are involved in hydrogen bonding via carb-oxy-lic O and pyridyl N atoms. The structure is further consolidated by inter-molecular C-H?O hydrogen bonds, generating a three-dimensional network.

| S-EPMC3011421 | 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