Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(2,2-dinitro-prop-yl)formal.

ABSTRACT: The complete mol-ecule of the title compound [systematic name: bis(2,2-dinitro-prop-oxy)methane], C(7)H(12)N(4)O(10), which was synthesized by the condensation reaction between 2,2-dinitro-propanol and paraformaldehyde in methyl-ene chloride, is generated by crystallographic twofold symmetry with one C atom lying on the rotation axis. In the crystal structure, mol-ecules are linked into chains running parallel to the b axis by inter-molecular C-H⋯O hydrogen-bond inter-actions, generating rings of graph-set motif R(2) (2)(14).

SUBMITTER: Liu F

PROVIDER: S-EPMC2968987 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Methyl 2,2-bis-(2,4-dinitro-phen-yl)ethano-ate.

Project description:In the title compound, C(15)H(10)N(4)O(10), the dihedral angle between the aromatic rings is 89.05?(16)°. One O atom of one of the nitro groups is disordered over two sites in a 0.70:0.30 ratio. In the crystal, the mol-ecules are linked by weak C-H?O inter-actions.

| S-EPMC3201509 | biostudies-literature

[?-2,2'-Dimethyl-2,2'-(p-phenyl-ene)diprop-yl]bis-[chloridobis(2-methyl-2-phenyl-prop-yl)tin(IV)].

Project description:The mol-ecular structure of the title compound, [Sn(2)(C(10)H(13))(4)(C(14)H(20))Cl(2)], is a binuclear centrosymmetric complex, in which the Sn atoms are four-coordinated by three C atoms and one Cl atom in a distorted tetra-hedral geometry.

| S-EPMC2979286 | biostudies-literature

1-[2,2-Bis(1,3-benzimidazol-1-ylmeth-yl)-3-bromo-prop-yl]-1,3-benzimidazole.

Project description:The title compound, C(26)H(23)BrN(6), has been synthesized as a potential ligand for the construction of metal-organic frameworks. The three benzimidazolyl groups present three potential coordination nodes. The dihedral angles between the benzimidazole ring systems are 74.03?(10), 66.49?(9) and 74.09?(9)°. The structure contains large voids, which contain highly disordered solvent mol-ecules that may be CH(3)CH(2)OH. Since the solvent mol-ecules could not be located, the PLATON/SQUEEZE procedure [Spek (2009 ?). Acta Cryst. D65, 148-155] was used.

| S-EPMC3151820 | biostudies-literature

N,N'-Bis(3-phenyl-prop-2-en-1-yl-idene)-2,2'-disulfanediyldianiline.

Project description:In the title compound, C(30)H(24)N(2)S(2), the two phenyl rings attached to the S atoms are oriented nearly perpendicularly, making a dihedral angle of 86.14?(8)°. Each of the two ArCH=CHCH=N units is almost planar, having maximum deviations from the least-squares planes of 0.125 and 0.149?Å, and rotated around the C-N bonds relative to the adjacent phenyl ring by 110.26 and 30.30°.

| S-EPMC3011374 | biostudies-literature

Bis(2,4-dinitro-phen-yl)sulfane.

Project description:In the title compound, C(12)H(6)N(4)O(8)S, the dinitro-phenyl rings subtend an angle of 78.46?(13) °. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds leading to the formation of a two-dimensional network lying parallel to the bc plane.

| S-EPMC3515221 | biostudies-literature

Bis-{(E)-3-[2-(hy-droxy-imino)-propan-amido]-2,2-dimethyl-propan-1-aminium} bis[?-(E)-N-(3-amino-2,2-dimethyl-prop-yl)-2-(hy-droxy-imino)-propanamido-(2-)]bis-{[(E)-N-(3-amino-2,2-dimethyl-prop-yl)-2-(hy-droxy-imino)-propanamide]-copper(II)} bis-((E)-{3-[2-(hy-droxy-imino)-propanamido]-2,2-dimethyl-prop-yl}carbamate) acetonitrile disolvate.

Project description:The reaction between copper(II) nitrate and (E)-N-(3-amino-2,2-dimethyl-prop-yl)-2-(hy-droxy-imino)-propanamide led to the formation of the dinuclear centrosymmetric copper(II) title complex, (C8H18N3O2)2[Cu2(C8H15N3O2)2(C8H17N3O2)2](C9H16N3O4)2·2CH3CN, in which an inversion center is located at the midpoint of the Cu2 unit in the center of the neutral [Cu2(C8H15N3O2)2(C8H17N3O2)2] complex fragment. The Cu(2+) ions are connected by two N-O bridging groups [Cu?Cu separation = 4.0608?(5)?Å] while the Cu(II) ions are five-coordinated in a square-pyramidal N4O coordination environment. The complex mol-ecule co-crystallizes with two mol-ecules of acetonitrile, two mol-ecules of the protonated ligand (E)-3-[2-(hy-droxy-imino)-propanamido]-2,2-dimethyl-propan-1-aminium and two negatively charged (E)-{3-[2-(hy-droxy-imino)-propanamido]-2,2-dimethyl-prop-yl}carbamate anions, which were probably formed as a result of condensation between (E)-N-(3-amino-2,2-dimethyl-prop-yl)-2-(hy-droxy-imino)-propanamide and hydro-gencarbonate anions. In the crystal, the complex fragment [Cu2(C8H15N3O2)2(C8H17N3O2)2] and the ion pair C8H18N3O2(+.)C9H16N3O4(-) are connected via an extended system of hydrogen bonds.

| S-EPMC3588739 | biostudies-literature

2,2'-Bis(prop-2-yn-yloxy)-1,1'-binaphth-yl.

Project description:In the title compound, C(26)H(18)O(2), the mol-ecule is located on a twofold rotation axis. The two naphthyl ring planes in the mol-ecule are nearly perpendicular to each other [dihedral angle = 82.42?(1)°. No classical hydrogen bonds or aromatic ?-? stacking inter-actions were observed.

| S-EPMC2915361 | biostudies-other

{2-[2,2-Bis(4,4-dimethyl-4,5-di-hydro-1,3-oxazol-2-yl-?N)prop-yl]pyridine}-dichlorido-iron(II).

Project description:The title compound,[FeCl2(C18H25N3O2)], has a distorted tetra-hedral Cl2N2 coordination of the Fe(II) atom as a result of the constraints imposed by the 2-[2,2-bis-(4,4-dimethyl-4,5-di-hydro-1,3-oxazol-2-yl)prop-yl]pyridine ligand. The pyridine ring is almost perpendicular to the six-membered chelated ring containing the metal atom [dihedral angle between their mean planes = 88.5?(1)°].

| S-EPMC3793678 | biostudies-literature

1-[3-({[Bis(2-methyl-prop-yl)carbamo-thio-yl]amino}-carbon-yl)benzoyl]-3,3-bis-(2-methyl-prop-yl)thio-urea.

Project description:The title compound, C26H42N4O2S2, adopts a shallow U-shape as both pendant arms of the 1,3-substituted benzene ring are orientated in the same direction. The thione S atoms lie to the same side of the benzene ring and the carbonyl O atoms to the other. The most prominent feature of the crystal packing is the formation of inversion dimers mediated by N-H?S hydrogen bonds. One of the 2-methyl-propyl groups is statistically disordered over two positions.

| S-EPMC3884506 | biostudies-literature

Bis(2,2'-bipyridine)bis-{μ(3)-cis-N-(2-carboxyl-atophen-yl)-N'-[3-(dimethyl-amino)prop-yl]oxamidato(3-)}-bis(per-chlorato)-tetra-nickel(II) methanol disolvate.

Project description:In the title methanol disolvate complex, [Ni(4)(C(14)H(16)N(3)O(4))(2)(ClO(4))(2)(C(10)H(8)N(2))(2)]·2CH(3)OH, the neutral tetra-nickel(II) system lies on a centre of inversion. The polyhedron around each Ni(II) atom is a square pyramid. The separations of the Ni atoms bridged by the oxamide and carboxyl groups are 5.227 (9) and 5.268 (6) Å, respectively. In the crystal structure, a two-dimensional supramolecular network structure involving O-H⋯O and C-H⋯O hydrogen bonding is observed.

| S-EPMC2971995 | 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