Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Chloro-6-meth-oxy-pyrimidin-2-amine-succinic acid (2/1).

ABSTRACT: The asymmetric unit of the title compound, 2C5H6ClN3O·C4H6O4, consists of one 4-chloro-6-meth-oxy-pyrimidin-2-amine mol-ecule and one half-mol-ecule of succinic acid which lies about an inversion centre. In the crystal, the acid and base mol-ecules are linked through N-H⋯O and O-H⋯N hydrogen bonds, forming a tape along [1-10] in which R2(2)(8) and R4(2)(8) hydrogen-bond motifs are observed. The tapes are further inter-linked through a pair of C-H⋯O hydrogen bonds into a sheet parallel to (11-2).

SUBMITTER: Thanigaimani K

PROVIDER: S-EPMC3588944 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Chloro-6-meth-oxy-pyrimidin-2-amine-succinic acid (2/1).

Thanigaimani Kaliyaperumal K Khalib Nuridayanti Che NC Arshad Suhana S Razak Ibrahim Abdul IA

Acta crystallographica. Section E, Structure reports online 20121114 Pt 12

The asymmetric unit of the title compound, 2C5H6ClN3O·C4H6O4, consists of one 4-chloro-6-meth-oxy-pyrimidin-2-amine mol-ecule and one half-mol-ecule of succinic acid which lies about an inversion centre. In the crystal, the acid and base mol-ecules are linked through N-H⋯O and O-H⋯N hydrogen bonds, forming a tape along [1-10] in which R2(2)(8) and R4(2)(8) hydrogen-bond motifs are observed. The tapes are further inter-linked through a pair of C-H⋯O hydrogen bonds into a sheet parallel to (11-2). ...[more]

PMID: 23476180

Similar Datasets

4-Chloro-6-meth-oxy-pyrimidin-2-amine.

Project description:The title compound, C5H6ClN3O, is essentially planar with a maximum deviation of 0.0256 (11) Å for all non-H atoms. In the crystal, adjacent mol-ecules are linked by a pair of N-H⋯N hydrogen bonds, forming an inversion dimer with an R2(2)(8) ring motif. The dimers are further linked via N-H⋯O hydrogen bonds into an undulating sheet structure parallel to the bc plane.

| S-EPMC3588926 | biostudies-literature

5-Chloro-pyrimidin-2-amine.

Project description:The complete mol-ecule of the title compound, C(4)H(3)ClN(3), is generated by crystallographic mirror symmetry, with the Cl atom, one N atom and two C atoms lying on the reflecting plane. In the crystal structure, inter-molecular N-H?N hydrogen bonds link the mol-ecules into chains propagating in [100].

| S-EPMC2971243 | biostudies-other

2-Chloro-8-methyl-3-[(pyrimidin-4-yl-oxy)meth-yl]quinoline.

Project description:In the title compound, C(15)H(12)ClN(3)O, the quinoline ring system is essentially planar, with a maximum deviation of 0.017 (1) Å. The crystal packing is stabilized by π-π stacking inter-actions between the quinoline rings of adjacent mol-ecule, with a centroid-centroid distance of 3.5913 (8) Å. A weak C-H⋯π contact is also observed between mol-ecules.

| S-EPMC2979073 | biostudies-literature

N-Cyclo-hexyl-N-{[3-(4,6-dimeth-oxy-pyrimidin-2-yl-oxy)pyridin-2-yl]meth-yl}4,6-dimeth-oxy-pyrimidin-2-amine.

Project description:In the title compound, C(24)H(30)N(6)O(5), the cyclo-hexyl ring adopts a chair conformation, while the remainder of the mol-ecule adopts a U-shape. The dihedral angles between the pyridine ring and the pendant pyrimidine rings are 69.04 (12) and 75.99 (9)°. The two pyrimidine rings, however, are nearly parallel to one another, with a dihedral angle of 8.56 (15)° between them. They are also involved in an intra-molecular π-π stacking inter-action with a distance of 3.6627 (18) Å between the ring centroids. In the crystal, C-H⋯O contacts link the mol-ecules into chains along the b axis.

| S-EPMC3344196 | biostudies-literature

2-Chloro-pyrimidin-4-amine.

Project description:In the title pyrimidine derivative, C(4)H(4)ClN(3), the 2-chloro and 4-amino substituents almost lie in the mean plane of the pyrimidine ring, with deviations of 0.003 (1) Å for the Cl atom, and 0.020 (1) Å for the N atom. In the crystal, molecules are linked via pairs of N-H⋯N hydrogen bonds, forming inversion dimers. These dimers are further linked via N-H⋯N hydrogen bonds, forming an undulating two-dimensional network lying parallel to (100).

| S-EPMC3274995 | biostudies-literature

6-Chloro-N-(2-meth-oxy-phen-yl)pyridazin-3-amine.

Project description:The asymmetric unit of the title compound, C(11)H(10)ClN(3)O, contains two geometrically different mol-ecules, A and B, in both of which the pyridazine rings are essentially planar with r.m.s. deviations of 0.0137 and 0.0056Å, respectively. In mol-ecule A, the dihedral angle between the pyridazine and benzene rings is 6.5?(2)°, whereas in mol-ecule B it is 27.93?(7)°. In mol-ecule B, an intramolecular N-H?O hydrogen bond forms an S(5) ring motif. In both molecules, S(6) ring motifs are present due to non-classical C-H?N hydrogen bonds. The ?-? inter-actions between the pyridazine rings of A mol-ecules [3.4740?(13)?Å] and B mol-ecules [3.4786?(17)?Å] have very similar centroid-centroid separations. ?-? Inter-actions also occur between the benzene rings of B mol-ecules with a centroid-centroid separation of 3.676?(2)?Å and a slippage of 1.02?Å. In the crystal, the mol-ecules are linked into chains extending along [010] by C-H?N and C-H?Cl interactions.

| S-EPMC3275194 | biostudies-literature

5-Bromo-2-chloro-pyrimidin-4-amine.

Project description:In the title compound, C4H3BrClN3, the pyrimidine ring is essentially planar (r.m.s. deviation from the plane = 0.087 Å). In the crystal, pairs of N-H⋯N hydrogen bonds connect the mol-ecules into inversion dimers; these are connected by further N-H⋯N hydrogen bonds into a two-dimensional framework parallel to the bc plane.

| S-EPMC3629628 | biostudies-literature

2-Chloro-6-methyl-pyrimidin-4-amine.

Project description:In the crystal structure of the title compound, C5H6ClN3, mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming inversion dimers. These dimers are linked via N-H⋯N hydrogen bonds, forming a two-dimensional network lying parallel to (100). Inversion-related mol-ecules are also linked via a slipped π-π inter-action, with a centroid-centroid distance of 3.5259 (11) Å, a normal separation of 3.4365 (7) Å and a slippage of 0.789 Å.

| S-EPMC3589031 | biostudies-literature

N-(2-Fluoro-phen-yl)-5-[(4-meth-oxy-phen-yl)amino-meth-yl]-6-methyl-2-phenyl-pyrimidin-4-amine.

Project description:The conformation of the title mol-ecule, C(25)H(23)FN(4)O, is mainly determined by an intra-molecular N-H?N hydrogen bond closing a six-membered ring and the dihedral angles between the pyrimidine ring and the three benzene rings which are 12.8?(2), 12.0?(2) and 86.1?(2)°. An intra-molecular N-H?F inter-action also occurs. The crystal stucture is stabilized by weak C-H?O and C-H?? inter-actions. An inter-molecular N-H?N inter-action is also observed.

| S-EPMC3238833 | biostudies-other

N-(4-Meth-oxy-phen-yl)-6-methyl-2-phenyl-5-{[4-(tri-fluoro-meth-yl)anilino]meth-yl}pyrimidin-4-amine.

Project description:The title compound, C26H23F3N4O, crystallizes with two symmetry-independent mol-ecules in the asymmetric unit, denoted A and B, which differ mainly in the rotation of the meth-oxy-phenyl ring. The -CF3 group of mol-ecule B is disordered by rotation, with the F atoms split over two sets of sites; the occupancy factor for the major component is 0.853 (4). The dihedral angles between the pyrimidine ring and the attached phenyl, meth-oxy-phenyl and tri-fluoro-methyl-phenyl rings are 8.1 (2), 37.5 (2) and 70.7 (2)°, respectively, in mol-ecule A, and 9.3 (2), 5.3 (2) and 79.7 (2)° in mol-ecule B. An intra-molecular N-H⋯N hydrogen bond occurs in each mol-ecule. In the crystal, two crystallographically independent mol-ecules associate into a dimer via a pair of N-H⋯N hydrogen bonds, with a resulting R 2 (2)(12) ring motif and π-π stacking inter-actions [centroid-centroid distance = 3.517 (4) Å] between the pyrimidine rings. For the A mol-ecules, there are inter-molecular C-H⋯O hydrogen bonds between an aryl C atom of meth-oxy-phenyl ring and a meth-oxy O atom of an adjacent mol-ecule. A similar inter-action is lacking in the B mol-ecules.

| S-EPMC3885078 | 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