Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Di-tert-butyl 2-benzoyl-hydrazine-1,1-dicarboxyl-ate.

ABSTRACT: The crystal structure of the title compound, C(17)H(24)N(2)O(5), was determined in the course of our studies on the preparation of two families of pseudopeptides, viz. hydrazino- and N-amino- peptides. The most significant inter-action in the crystal structure is a bifurcated inter-molecular N-H?O hydrogen bond.

SUBMITTER: Didierjean C

PROVIDER: S-EPMC2915266 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Di-tert-butyl 2-benzoyl-hydrazine-1,1-dicarboxyl-ate.

Didierjean Claude C Brosse Nicolas N Bodiguel Jacques J Jamart-Grégoire Brigitte B

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

The crystal structure of the title compound, C(17)H(24)N(2)O(5), was determined in the course of our studies on the preparation of two families of pseudopeptides, viz. hydrazino- and N-amino- peptides. The most significant inter-action in the crystal structure is a bifurcated inter-molecular N-H⋯O hydrogen bond. ...[more]

PMID: 21200770

Similar Datasets

(R)-Di-tert-butyl 1,1'-binaphthyl-2,2'-dicarboxyl-ate.

Project description:The crystal structure of the title compound, C(30)H(30)O(4), comprises two crystallographically independent half-mol-ecules which are completed by crystallographic twofold symmetry. The dihedral angles between the naphthalene ring planes are 85.83?(3) and 83.69?(3)° for the two molecules. The atoms of the tert-butyl group of one mol-ecule are disordered over two sets of sites with occupancies of 0.60:0.40. The crystal packing is achieved via ?-? stacking inter-actions between the naphthyl groups of adjacent mol-ecules, with a separation of 3.790?(1)?Å between the centroids of the rings.

| S-EPMC2968339 | biostudies-literature

Di-tert-butyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxyl-ate.

Project description:In the title mol-ecule, C(16)H(25)NO(4), the non-H atoms, except for the two tert-butyl groups, are roughly planar (r.m.s. deviation of the non-H atoms = 0.086 Å). In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H⋯O hydrogen bonds, forming R(2) (2)(10) ring motifs.

| S-EPMC3393944 | biostudies-literature

Di-tert-butyl 1-[2-hy-droxy-3-(methyl-sulfan-yl)prop-yl]hydrazine-1,2-di-carboxyl-ate.

Project description:The title compound, C14H28N2O5S, was synthesized by the reaction of 2-[(methyl-sulfan-yl)meth-yl]oxirane with di-tert-butyl oxalate in hydrazine hydrate. In the crystal, mol-ecules are linked by N-H?O and O-H?O hydrogen bonds into supra-molecular chains propagating along the b-axis direction.

| S-EPMC4158484 | biostudies-literature

Di-tert-butyl (1,1'-binaphthyl-2,2'-di-oxy)diacetate.

Project description:In the crystal structure of the title compound, C(32)H(34)O(6), the mol-ecule is located on a twofold rotation axis. The two naphthyl fused-ring systems are aligned at 72.6 (1)°. Weak intermolecular C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC2968877 | biostudies-literature

Di-tert-butyl 3,3'-(2,2'-bi-1H-imidazole-1,1'-di-yl)dipropanoate.

Project description:In the title compound, C(20)H(20)N(4)O(4), the complete molecule is generated by a crystallographic centre of symmetry. The conformation is stabilized by two intramolecular C-H?N links.

| S-EPMC2969301 | biostudies-literature

1,1'-Di-tert-butyl-2,2',3,3',4,4',5,5'-octa-ethyl-1,1'-bis-tannole.

Project description:The title compound, [Sn(2)(C(4)H(9))(2)(C(12)H(20))(2)], has two 1-stannacyclo-penta-diene skeletons related by inversion symmetry located at the mid-point of the Sn-Sn bond [2.7682 (2) Å]. Thus, the asymmetric unit comprises one half-mol-ecule. The planarity of the stannacyclo-penta-diene ring is illustrated by the dihedral angle of 0.3 (1)°, defined by the C(4) and C-Sn-C planes. To avoid steric repulsion, the two stannole rings are oriented in an anti fashion through the Sn-Sn bond. These structural features are similar to those of other bis-tannoles.

| S-EPMC3152095 | biostudies-literature

2-tert-Butyl 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxyl-ate.

Project description:In the title mol-ecule, C(13)H(19)NO(4), except for two C atoms of the tert-butyl group, the non-H atoms are almost coplanar (r.m.s. deviation = 0.2542?Å). In the crystal, mol-ecules are linked into centrosymmetric dimers by two inter-molecular N-H?O hydrogen bonds, forming an R(2) (2)(10) ring motif.

| S-EPMC3379292 | biostudies-literature

3,3'-Di-tert-butyl-1,1'-[1,3-phenyl-enebis(methyl-ene)]diurea.

Project description:The title compound, C(18)H(30)N(4)O(2), contains two tert-butyl urea groups, each connected to a benzene ring though a methyl-ene group. One of the groups occupies a position almost normal to the aromatic plane with a C-N-C-C torsion angle of -94.4?(4)°, while the other is considerably twisted from the ring with a C-N-C-C torsion angle of -136.1?(4)°. In the crystal, pairs of mol-ecules are connected to each other, forming centrosymmetric dimers in which two NH groups of one mol-ecule act as hydrogen-bond donors to one carbonyl O atom of the other mol-ecule. The dimers are linked into sheets parallel to (100) by N-H?O hydrogen bonds involving the remaining N-H and C=O groups.

| S-EPMC2983681 | biostudies-literature

Dibenzyl ferrocene-1,1'-dicarboxyl-ate.

Project description:In the title compound, [Fe(C(13)H(11)O(2))(2)], there are markedly different orientations of the two phenyl-meth-oxy-carbonyl substituents [O-C-C-C torsion angles = 84.5?(3) and 139.6?(2)°]. These orientations are mediated by a number of inter-molecular C-H?O inter-actions, which result in a one-dimensional hydrogen-bonded network of mol-ecules.

| S-EPMC3120602 | biostudies-literature

tert-Butyl 6-benzoyl-5-hydr-oxy-2-oxo-2H-chromene-4-carboxyl-ate.

Project description:In the title compound, C(21)H(18)O(6), a previously unknown coumarin derivative, the benzoyl substitutent makes a dihedral angle of 53.80 (16)° with the plane of the coumarin rings. An intramolecular O-H⋯O hydrogen bond is observed.

| S-EPMC2961751 | 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