Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Pyrimidine-2,4-diamine acetone monosolvate.

ABSTRACT: In the title compound, C(4)H(6)N(4)·C(3)H(6)O, the pyrimidine-2,4-diamine mol-ecule is nearly planar (r.m.s. deviation = 0.005?Å), with the endocyclic angles covering the range 114.36?(10)-126.31?(10)°. In the crystal, N-H?N and N-H?O hydrogen bonds link the mol-ecules into ribbons along [101], and weak C-H?? inter-actions consolidate further the crystal packing.

SUBMITTER: Draguta S

PROVIDER: S-EPMC3569783 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

6-Methyl-1,3,5-triazine-2,4-diamine butane-1,4-diol monosolvate.

Project description:The title co-crystal, C4H7N5·C4H10O2, crystallizes with one mol-ecule of 6-methyl-1,3,5-triazine-2,4-diamine (DMT) and one mol-ecule of butane-1,4-diol in the asymmetric unit. The DMT mol-ecules form ribbons involving centrosymmetric R2(2)(8) dimer motifs between DMT mol-ecules along the c-axis direction. These ribbons are further hydrogen bonded to each other through butane-1,4-diol, forming sheets parallel to (121).

| S-EPMC3588973 | biostudies-literature

6-Chloro-N(4),N(4)-dimethyl-pyrimidine-2,4-diamine.

Project description:The asymmetric unit of the title compound, C(6)H(9)ClN(4), contains four independent mol-ecules (A, B, C and D). Their main difference is the torsion angles, ranging from 1.6?(5) to 5.9?(5)°, between the methyl group and the pyrimidine plane. A pair of inter-molecular N-H?N hydrogen bonds link mol-ecules A and C into a twisted dimer with a dihedral angle of 32.9?(1)° between the two pyrimidine rings, creating an R(2) (2)(8) motif. In the packing, each two mol-ecules of B, C and D form centrosymmetric dimers through two inter-molecular N-H?N hydrogen bonds, locally creating R(2) (2)(8) motifs. The dimers of C and D are alternately bridged by A into an infinite zigzag strip, locally creating two different R(2) (2)(8) motifs with dihedral angles of 32.9?(1) and 63.4?(1)° between the pyrimidine rings. Finally, these strips together with the dimers of B associate into a complicated three-dimensional framework.

| S-EPMC3344442 | biostudies-literature

6-Chloro-N,N-di-p-tolyl-1,3,5-triazine-2,4-diamine dimethyl-formamide monosolvate.

Project description:The title compound, C(17)H(16)ClN(5)·C(3)H(7)NO, was prepared by reaction of p-toluidine with 2,4,6-trichloro-1,3,5-triazine at room temperature. The dihedral angles between the triazine ring and the pendant rings are 3.61?(12) and 53.11?(12)°. An intra-molecular C-H?N inter-action occurs. The packing is stabilized by N-H?N and N-H?O hydrogen bonds and C-H?? and ?-? [centroid-centroid distance = 3.763?(1)?Å] inter-actions.

| S-EPMC2972005 | biostudies-literature

Rubrene endoperoxide acetone monosolvate.

Project description:The title acetone solvate, C(42)H(28)O(2)·C(3)H(6)O [systematic name: 1,3,10,12-tetra-phenyl-19,20-dioxapenta-cyclo-[10.6.2.0(2,11).0(4,9).0(13,18)]icosa-2(11),3,5,7,9,13,15,17-octa-ene acetone monosolvate], is a photooxygenation product of rubrene (systematic name: 5,6,11,12-tetra-phenyl-tetra-cene). The mol-ecule bends at the bridgehead atoms, which are linked by the O-O transannular bond, with a dihedral angle of 49.21 (6)° between the benzene ring and the naphthalene ring system of the tetra-cene unit. In the crystal, the rubrene mol-ecules are linked by C-H⋯O hydrogen bonds into a column along the c axis. The acetone solvent mol-ecules form a dimer around a crystallographic inversion centre through a carbon-yl-carbonyl dipolar inter-action. A C-H⋯O hydrogen bond between the rubrene and acetone mol-ecules is also observed.

| S-EPMC3343964 | biostudies-literature

3,5-Bis(2,4-dinitro-phen-yl)-4-nitro-1H-pyrazole acetone monosolvate.

Project description:The title structure, C(15)H(7)N(7)O(10)·C(3)H(6)O, was prepared by penta-nitration of 3,5-diphenyl-1H-pyrazole. The proton attached to a pyrazole N atom forms a hydrogen bond with the O atom of the acetone solvent mol-ecule, owing to the NO(2) enhanced acidity of the proton. The NO(2) group on the phenyl C atom is twisted by 33.9?(2)° from coplanarity with the ring in order to avoid a short intra-molecular O?O contact with an O atom of an adjacent pyrazole-bonded NO(2) group.

| S-EPMC3275082 | biostudies-other

N,N'-Diphenyl-thio-urea acetone monosolvate.

Project description:In the title compound, C(13)H(12)N(2)S·C(3)H(6)O, the phenyl rings of the thio-urea mol-ecule are in syn and anti positions in relation to the C=S bond. Two mol-ecules are connected by N-H?S=C hydrogen bonds into a centrosymmetric dimer. An additional N-H?O=C hydrogen bond to the acetone solvent mol-ecule and some weak C-H?? inter-actions reinforce the crystal structure.

| S-EPMC3050175 | biostudies-literature

Bis(2,6-dicarboxy-pyridinium) dichloride acetone monosolvate.

Project description:The title compound, 2C(7)H(6)NO(4) (+)·2Cl(-)·C(3)H(6)O, crystallizes with two 2,6-dicarboxy-pyridinium cations, two chloride anions and one acetone mol-ecule in the asymmetric unit. The crystal structure is characterized by alternating cations and by Cl(-) anions, forming zigzag chains running along the a axis.

| S-EPMC2971198 | biostudies-literature

2,4-Dichloro-pyrimidine.

Project description:The mol-ecule of the title compound, C(4)H(2)Cl(2)N(2), is almost planar [maximum deviation = 0.013 (3) Å for a Cl atom]. In the crystal structure, inter-molecular C-H⋯N inter-actions link the mol-ecules into chains.

| S-EPMC2969750 | biostudies-literature

Bis(tetra-phenyl-phospho-nium) tetra-iodidomanganate(II) acetone monosolvate.

Project description:The title compound, (C(24)H(20)P)(2)[MnI(4)]·(CH(3))(2)CO, prepared from the reaction of manganese powder, iodine and tetra-phenyl-phospho-nium iodide in acetone shows a tetra-hedral complex anion [Mn-I = 2.6868?(5)-2.7281?(4)?Å and I-Mn-I = 104.011?(13)-116.164?(15)°], two tetra-phenyl-phospho-nium cations and one mol-ecule of acetone.

| S-EPMC2983621 | biostudies-literature

[6,13-Bis(2,4-dichloro-benzo-yl)-5,7,12,14-tetra-methyl-dibenzo[b,i][1,4,8,11]tetra-aza-cyclo-tetra-decinato- κ⁴N]nickel(II) acetone monosolvate.

Project description:In the title complex, [Ni(C₃₆H₂₆Cl₄N₄O₂)]·C₃H₆O, two 2,4-dichloro-benzoyl groups are grafted onto the methine groups of the Ni(II) complex Ni(tmtaa) (H₂tmtaa = 5,7,12,14-tetra-methyl-4,11-dihydro-dibenzo[b,i][1,4,8,11]tetra-aza-cyclo-tetra-decine). The complex has the shape of a saddle. The Ni atom is tetra-coordinated by the four N atoms of the macrocycle, forming a slightly tetra-hedrally distorted square-planar geometry. The metal is displaced by 0.0101 (8) Å from the N₄ mean plane. The aromatic rings of the 2,4-dichloro-benzoyl groups form dihedral angles of 87.1 (2) and 82.1 (2)° with the N₄ mean plane.

| S-EPMC3393152 | 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