Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(Quinolin-8-yl)ferrocene-1-carbox-amide.

ABSTRACT: In the title compound, [Fe(C(5)H(5))(C(15)H(11)N(2)O)], the cyclo-penta-dienyl rings are essentially eclipsed, and the dihedral angle between the cyclo-penta-dienyl ring planes is 0.632?(10)°. The Fe atom is slightly closer to the substituted cyclo-penta-dienyl ring, with an Fe-centroid distance of 1.6374?(3)?Å [1.6494?(3)?Å for the unsubstituted ring]. The amide group is essentially coplanar with the substituted cyclo-penta-dienyl ring, with an N-C(O)-C-C torsion angle of 2.3?(3)°.

SUBMITTER: Li X

PROVIDER: S-EPMC3212180 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(Quinolin-8-yl)ferrocene-1-carbox-amide.

Li Xia X Du Ling-Zhi LZ

Acta crystallographica. Section E, Structure reports online 20110723 Pt 8

In the title compound, [Fe(C(5)H(5))(C(15)H(11)N(2)O)], the cyclo-penta-dienyl rings are essentially eclipsed, and the dihedral angle between the cyclo-penta-dienyl ring planes is 0.632 (10)°. The Fe atom is slightly closer to the substituted cyclo-penta-dienyl ring, with an Fe-centroid distance of 1.6374 (3) Å [1.6494 (3) Å for the unsubstituted ring]. The amide group is essentially coplanar with the substituted cyclo-penta-dienyl ring, with an N-C(O)-C-C torsion angle of 2.3 (3)°. ...[more]

PMID: 22090882

Similar Datasets

N-(Quinolin-8-yl)quinoline-2-carbox-amide.

Project description:In the title compound, C(19)H(13)N(3)O, the dihedral angle between the two quinoline systems is 11.54?(3)°. The mol-ecular conformation is stabilized by intra-molecular N-H?N and C-H?O hydrogen bonds, with N-H?N being bifurcated towards the two N atoms of the two quinoline rings. In the crystal, there are weak intermolecular ?-? inter-actions present involving the quinoline rings [centroid-centroid distance 3.7351?(14)?Å].

| S-EPMC3379284 | biostudies-other

N-(4-Bromo-phen-yl)pyrazine-2-carbox-amide.

Project description:The mol-ecule of the title compound, C(11)H(8)BrN(3)O, is close to planar (r.m.s. deviation of all 16 non-H atoms = 0.103?Å), a conformation stabilized by an intra-molecular N-H?N hydrogen bond, which generates an S(5) ring. In the crystal structure, supra-molecular chains mediated by C-H?O contacts (along a) are linked into a double layer via N?Br halogen bonds [3.207?(5)?Å] and C-Br?? inter-actions [Br?ring centroid(pyrazine) = 3.446?(3)?Å]. The layers stack along the b axis via weak ?-? inter-actions [ring centroid(pyrazine)?ring centroid(benzene) distance = 3.803?(4)?Å].

| S-EPMC3009118 | biostudies-literature

N-(2-Iodo-phen-yl)benzene-carbox-imid-amide.

Project description:The title compound, C(13)H(11)IN(2), crystallizes with two independent molecules (A and B) in the asymmetric unit. The two aromatic rings are inclined to one another by 73.3?(2)° in molecule A, and by 74.4?(1)° in molecule B. In molecule A, the iodophenyl and the phenyl rings are inlclined to the N=C-N plane by 88.0?(4) and 19.0?(4)°, respectively. In molecule B the corresponding angles are 85.0?(4) and 20.7?(4)°, respectively. In the crystal, the two molecules are not parallel but have a dihedral angle between the iodophenyl rings of 8.6?(1)°, and 44.5?(2)° between the phenyl rings. The A and B molecules are linked vvia N-H?N hydrogen bonds to form -A-B-A-B- chains propagating along direction [100].

| S-EPMC3295497 | biostudies-literature

N-(2-Chloro-eth-yl)morpholine-4-carbox-amide.

Project description:The title compound, C7H13ClN2O2, synthesized by the reaction of 2-chloro-ethyl iso-cyanate and morpholine, crystallizes with four molecules in the asymmetric unit, which have similar conformations and comprise two pairs each related by approximate non-crystallographic inversion centres. Two of them have a modest orientational disorder of the 2-chloro-ethyl fragments [occupancy ratio of 0.778 (4):0.222 (4)]. In the crystal, mol-ecules are linked by N-H⋯O=C hydrogen bonds, forming three crystallographically different kinds of infinite hydrogen-bonded chains extending along [001].

| S-EPMC3998621 | biostudies-literature

N-(2-Nitro-phen-yl)thio-phene-2-carbox-amide.

Project description:The title compound, C11H8N2O3S, shows two mol-ecules per asymmetric unit, with the dihedral angles between the benzene and thio-phene rings of 13.53 (6) and 8.50 (5)° being a notable difference between them. An intra-molecular N-H⋯O hydrogen-bond in each mol-ecule generates an S(6) ring motif. The crystal packing shows no classical hydrogen bonds with the mol-ecules being packed to form weak C-H⋯O and C-H⋯S inter-actions leading to R 2 (2)(9) and R 4 (4)(25) rings which are edge-shared, giving layers parallel to (010).

| S-EPMC4011230 | biostudies-literature

A new polymorph of N-(prop-2-yn-yl)tricyclo-[3.3.1.1]decane-1-carbox-amide.

Project description:The alkynyl bond of the title compound, C(14)H(19)NO, has a length of 1.170 (5) Å. The amide function shows a trans conformation with respect to the carbonyl group characterized by the torsion angle O-C-N-H of -176 (2)°. There is an inter-molecular N-H⋯O hydrogen bond between the amide function and the carbonyl group. In addition, weak inter-molecular hydrogen bonds stabilize the crystal structure. A comparison with a polymorphic structure shows conformational differences with regard to the orientation of the carbonyl groups with respect to the adamantyl group [O-C-C-C = 96.2 (3)° in the title compound and 123.7 (2)° in the polymorph] and the orientations of the propargyl groups in relation to the carbonyl groups [O-C-C-C = -87.7 (3) and -58.7 (2)°, respectively].

| S-EPMC2962125 | biostudies-literature

6-Methyl-N-(2-methyl-phen-yl)-3-phenyl-1,6-dihydro-1,2,4,5-tetra-zine-1-carbox-amide.

Project description:In the title compound, C(17)H(16)N(5)O, the central tetra-zine ring adopts an unsymmetrical boat conformation with the two C atoms as flagpoles. This compound can be considered as having homoaromaticity. The crystal structure is stabilized by inter-molecular C-H⋯O inter-actions between a benzene H atom and the carbonyl O atom.

| S-EPMC2962064 | biostudies-literature

N,N-Dimethyl-3-phenyl-isoxazole-5-carbox-amide.

Project description:In the title compound, C12H12N2O2, synthesized by ammonolysis of 3-phenyl-isoxazole-5-carbonyl chloride in di-chloro-methane, the dihedral angle between the isoxazole ring and the phenyl ring is 14.05?(7)°. In the crystal, centrosym-metrically related mol-ecules are linked into dimers by pairs of C-H?O hydrogen bonds, generating rings of graph-set motif R 2 (2)(10).

| S-EPMC3914115 | biostudies-literature

4-Methyl-N-p-tolyl-piperidine-1-carbox-amide.

Project description:In the title mol-ecule, C(14)H(20)N(2)O, the piperidine ring has a chair conformation and its N atom is close to planar (bond-angle sum = 357.5°). The dihedral angle between the amide group and the aromatic ring is 47.43 (19)°. In the crystal, mol-ecules are linked into [100] C(4) chains by N-H⋯O hydrogen bonds.

| S-EPMC3344583 | biostudies-literature

Erratum: 6-Methyl-N-(2-methyl-phen-yl)-3-phenyl-1,6-dihydro-1,2,4,5-tetra-zine-1-carbox-amide. Corrigendum.

Project description:The formula of the title compound in the paper by Xu & Hu [Acta Cryst. (2008), E64, o1432] is corrected.[This corrects the article DOI: 10.1107/S1600536808020199.].

| S-EPMC2979741 | 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