Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,4-Diacetyl-hepta-nedinitrile.

ABSTRACT: The asymmetric unit of the title compound, C(11)H(14)N(2)O(2), contains one half-mol-ecule as the central C atom of the mol-ecule lies on a twofold rotation axis. In the crystal structure, weak inter-molecular C-H⋯N hydrogen bonds link the mol-ecules into zigzag chains along c.

SUBMITTER: Wang GW

PROVIDER: S-EPMC2967936 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4,4-Diacetyl-hepta-nedinitrile.

Wang Guo-Wei GW Zhang Jian J Zhuang Ling-Hua LH Wu Wen-Yuan WY Wang Jin-Tang JT

Acta crystallographica. Section E, Structure reports online 20081203 Pt 1

The asymmetric unit of the title compound, C(11)H(14)N(2)O(2), contains one half-mol-ecule as the central C atom of the mol-ecule lies on a twofold rotation axis. In the crystal structure, weak inter-molecular C-H⋯N hydrogen bonds link the mol-ecules into zigzag chains along c. ...[more]

PMID: 21581607

Similar Datasets

Dimethyl 4,4-diacetyl-hepta-nedioate.

Project description:The mol-ecule of the title dicarbonyl compound, C(13)H(20)O(6), possesses approximate local twofold symmetry. In the crystal, inter-molecular C-H?O hydrogen bonds link the mol-ecules, generating a chain structure.

| S-EPMC2968235 | biostudies-literature

Benzylammonium hepta-noate-hepta-noic acid (1/1).

Project description:The title salt, C7H10N(+)·C7H13O2(-)·C7H14O2, is an unusual 2:1 stoichiometric combination of two carb-oxy-lic acid mol-ecules and one amine. Although there are crystal structures of a number of 1:1 complexes reported in the literature, 2:1 acid amine complexes are rather uncommon. In this case, a proton is transferred between one acid mol-ecule and the amine to give an acid anion and an ammonium cation whilst the other carb-oxy-lic acid remains protonated. The species inter-act strongly via electrostatic forces and hydrogen bonds. In addition we note that the N atom of the ammonium group makes four close contacts to surrounding O atoms. Three of these are hydrogen bonds with neighbouring acid anions while the fourth does not involve a hydrogen atom but is directed towards the carbonyl O atom of the protonated acid. Each of the acid anion O atoms accepts two hydrogen bonds from adjacent N atoms. There is also evidence of short C-H?O contacts. There is disorder (occupancy ratio 0.51:0.49) in the alkyl chain of one of the carb-oxy-lic acid mol-ecules.

| S-EPMC3588549 | biostudies-literature

(4-Amino-benzene-sulfonato)-hepta-aqua-gadolinium(III) 4-amino-benzene-sulfonate nitrate 4,4'-bipyridyl tetra-solvate dihydrate.

Project description:In the title compound, [Gd(C(6)H(6)O(3)S)(H(2)O)(7)](C(6)H(6)O(3)S)(NO(3))·4C(10)H(8)N(2)·2H(2)O, the Gd(III) ion is octa-coordinated by seven water mol-ecules and one O-bonded 4-amino-benzene-sulfonate anion in a square-anti-prismatic arrangement. In the crystal, the components are linked by N-H?O, O-H?N and O-H?O hydrogen bonds.

| S-EPMC3006889 | biostudies-other

2,6-Diacetyl-pyridine-resorcinol (1/1).

Project description:The title co-crystal, C(9)H(9)NO(2)·C(6)H(6)O(2), is composed of one 2,6-diacetyl-pyridine mol-ecule and one resorcinol mol-ecule as the asymmetric unit. In the 2,6-diacetyl-pyridine mol-ecule, the two carbonyl groups are anti-periplanar to the pyridine N atom. In the crystal, the 2,6-diacetyl-pyridine and resorcinol mol-ecules are connected by two O-H⋯O hydrogen bonds, forming planar chains of alternating components running along [120].

| S-EPMC3435719 | biostudies-literature

Benzyl-ammonium hepta-noate.

Project description:The title 1:1 stoichiometric salt, C7H10N(+)·C7H13O2 (-), is formed by proton transfer between hepta-noic acid and benzyl-amine. This combination contrasts to the recently published 2:1 acid-amine adduct of cation, anion and neutral acid molecule from the same components [Wood & Clarke (2013 ?). Acta Cryst. E69, o346-o347]. There are N-H?O hydrogen bonds of moderate strength in the structure [the most important graph-set motifs are R (2) 4(8) and R (4) 4(12)], as well as weak C-H?O inter-actions.

| S-EPMC3648282 | biostudies-literature

Ethidium hepta-fluoro-butyrate.

Project description:In the title compound (systematic name: 3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium 2,2,3,3,4,4,4-heptafluorobutyrate), C21H20N3 +·C4F7O2 -, two ethidium ions, C21H20N3 + form a dimerized structure due to π-π inter-actions, even though they are positively charged. The hepta-fluoro-butyrate anions are connected to neighbouring cation dimers via hydrogen-bonding inter-actions, the hydrogen-bonding donor sites of the -NH2 groups of the ethidium ions connecting to the hydrogen-bonding acceptor sites of the -COO- groups of the hepta-fluoro-butyrate anions.

| S-EPMC9635432 | biostudies-literature

Didysprosium hepta-nickel.

Project description:The title compound, Dy(2)Ni(7), adopts the ?-Gd(2)Co(7)-type structure type. The asymmetric unit contains two Dy sites (both site symmetry 3m) and five Ni sites (site symmetries .m, .2/m and -3m, and two 3m). The four different Ni coordination polyhedra are Frank-Kasper icosa-hedra formed by five Dy and seven Ni atoms, four Dy and eight Ni, three Dy and nine Ni, and six Dy and six Ni atoms, respectively. The two different Dy coordination polyhedra are either pseudo Frank-Kasper icosa-hedra formed by two Dy and 18 Ni atoms or normal Frank-Kasper icosa-hedra formed by four Dy and 12 Ni atoms.

| S-EPMC3297205 | biostudies-other

Crystal structure of hepta-guanidinium nona-hydrogen bis-[α-hexa-molybdoplatinate(IV)] hepta-hydrate.

Project description:The title compound, (CH6N3)7H9[PtMo6O24]2·7H2O, containing the well-known Anderson-type heteropolyoxomolybdate, was obtained by recrystallization of its powdered guanidinium salt. The protonated O atoms in the polyanion were confirmed by electron-density maps, inter-polyanion hydrogen bonds and bond-valance sums (BVS). The {[H4.5PtMo6O24]2}(7-) polyanion is the same as that already characterized in K7[H4.5PtMo6O24]2·11H2O [space group P-1; Lee & Joo (2010 ▶). Acta Cryst. E66, i8-i9]. The heteropolyanions form inversion-generated dimers, {[H4.5PtMo6O24]2}(7-), held together by each of the four μ3-O-H⋯μ1-O, two μ2-O-H⋯μ2-O hydrogen bonds and one centrosymmetric μ3-O-H-μ3-O hydrogen bond. The H atom of the centrosymmetric hydrogen bond is located on an inversion centre. One guanidinium ion and one water mol-ecule are equally disordered about a twofold rotation axis.

| S-EPMC4350731 | biostudies-literature

Methyl 3,5-dibromo-2-diacetyl-amino-benzoate.

Project description:The title methyl benzoate compound, C(12)H(11)Br(2)NO(4), consists of an ortho-substituted diacetyl-amino group and meta-substituted Br atoms. The crystal packing is stabilized by weak inter-molecular C-H⋯O inter-actions.

| S-EPMC3200936 | biostudies-literature

Dicaesium hexa-mercury hepta-sulfide.

Project description:The title compound, Cs(2)Hg(6)S(7), crystallizes in a new structure type that is closely related to that of K(2)Zn(6)O(7). The structure comprises a three-dimensional mercury sulfide network that is composed of channels. These channels, which are along [001], are of two different diameters. The crystal structure contains one Cs, two Hg, and three S atoms in the asymmetric unit. The Cs, one Hg, and one S atom are at sites of symmetry m, whereas a second S atom is at a site of symmetry 2mm. The Hg atoms are bound to the S atoms in both three- and four-coordinate geometries. The caesium cations occupy the central spaces of the larger diameter channels and exhibit a coordination number of 7.

| S-EPMC2960640 | 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