Browse
Submit Data
Databases
API
Help

Dataset Information

28 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3,3'-[(tert-Butoxy-carbon-yl)aza-nedi-yl]dipropanoic acid.

ABSTRACT: The title compound, C(11)H(19)NO(6), is an important inter-mediate for the synthesis of cephalosporin derivatives. The N atom is in a planar configuration. In the crystal, mol-ecules are linked into zigzag layers parallel to (100) by O-H?O hydrogen bonds.

SUBMITTER: Tao Y

PROVIDER: S-EPMC2969698 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3,3'-[(tert-Butoxy-carbon-yl)aza-nedi-yl]dipropanoic acid.

Tao Yuan Y Liang Yu-Feng YF Guo Xiao-Qiang XQ Mao Zhi-Hua ZH Qi Qing-Rong QR

Acta crystallographica. Section E, Structure reports online 20090529 Pt 6

The title compound, C(11)H(19)NO(6), is an important inter-mediate for the synthesis of cephalosporin derivatives. The N atom is in a planar configuration. In the crystal, mol-ecules are linked into zigzag layers parallel to (100) by O-H⋯O hydrogen bonds. ...[more]

PMID: 21583251

Similar Datasets

Di-tert-butyl 2,2'-[(2-hydroxy-ethyl)aza-nedi-yl]diacetate.

Project description:In the title compound, C(14)H(27)NO(5), the hydr-oxy group and one of the acetate carbonyl O atoms are linked by an intra-molecular O-H⋯O hydrogen bond, forming an eight-membered ring. This inter-action gives rise to an asymmetric mol-ecular conformation.

| S-EPMC2971910 | biostudies-literature

(2Z,2'Z)-Diethyl 3,3'-[butane-1,4-diylbis(aza-nedi-yl)]bis-(but-2-enoate).

Project description:The whole mol-ecule of the title ?-enamino-ester, C(16)H(28)N(2)O(4), is generated by a crystallographic inversion center, situated at the mid-point of the central C-C bond of the 1,4-diamino-butane segment. There are two intra-molecular N-H?O hydrogen bonds that generate S(6) ring motifs. This leads to the Z conformation about the C=C bonds [1.3756?(17)?Å]. The mol-ecule is S-shaped with the planar central 1,4-diamino-butane segment [maximum deviation for non H-atoms = 0.0058?(13)?Å] being inclined to the ethyl butyl-enonate fragment [C-C-O-C-C=C-C; maximum deviation = 0.0710?(12)?Å] by 15.56?(10)°. In the crystal, mol-ecules are linked via C-H?O inter-actions, leading to the formation of an undulating two-dimensional network lying parallel to the bc plane.

| S-EPMC3470214 | biostudies-literature

Dimethyl 3,3'-diphenyl-2,2'-[(S)-thio-phene-2,5-diylbis(carbonyl-aza-nedi-yl)]dipropano-ate.

Project description:The asymmetric unit of the title compound, C(26)H(26)N(2)O(6)S, contains two independent mol-ecules; each has twofold symmetry with the S atom and the mid-point of the C-C bond of the thio-phene ring located on a twofold rotation axis. In the two mol-ecules, the terminal benzene rings are oriented at dihedral angles of 65.8 (3) and 63.5 (3)° with respect to the central thio-phene rings. The meth-oxy-carbonyl group of one mol-ecule is disordered over two positions with site-occupancy factors of 0.277 (12) and 0.723 (12). Inter-molecular N-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC3007902 | biostudies-literature

2-(tert-Butoxy-carbonyl-amino)-2-(2-fluoro-phen-yl)acetic acid.

Project description:The title compound, C(13)H(16)FNO(4), consists of conventional, centrosymmetric carboxyl-ate dimers. These dimers form infinite polymeric chains due to inter-molecular N-H?O hydrogen bonding. The 2-fluoro-phenyl unit is disordered over two sets of sites with an ocupancy ratio of 0.915?(3):0.085?(3).

| S-EPMC2971223 | biostudies-literature

Dimethyl 3,3'-diphenyl-2,2'-[(S)-thio-phene-2,5-diylbis(carbonyl-aza-nedi-yl)]dipropano-ate tetra-hydro-furan monosolvate.

Project description:The title compound, C(26)H(26)N(2)O(6)S·C(4)H(8)O, a solvated bis-amide derivative, is also a chiral amino acid ester with l-phenyl-alanine methyl ester groups as amine substituents. The thio-phene-2,5-dicarboxamide core approximates C(2) point symmetry. The tetra-hydro-furan solvent mol-ecule is linked to the main mol-ecule through an inter-molecular N-H⋯O hydrogen bond. The central ring makes dihedral angles of 90.0 (2) and 76.5 (2)° with the pendant rings.

| S-EPMC2983431 | biostudies-literature

Bis{4,4'-[oxalylbis(aza-nedi-yl)]dipyridinium} octa-molybdate.

Project description:In the crystal structure of the title compound, (C(12)H(12)N(4)O(2))(2)[Mo(8)O(26)], the amino and pyridinium groups of the N(1),N(2)-di(pyridinium-4-yl)oxalamide cations are hydrogen bonded to the O atoms of the centrosymmetric isopolyoxometalate ?-[Mo(8)O(26)](4-) anions, forming a three-dimensional supra-molecular architecture.

| S-EPMC3006793 | biostudies-literature

Bis{[1-(tert-butoxy-carbonyl)-pyrrolidin-2-yl]meth-yl} carbonate.

Project description:The asymmetric unit of the title compound, C(21)H(36)N(2)O(7), consists of two independent half-mol-ecules, the other halves being generated by twofold rotational axes. The two independent half-mol-ecules are related by a pseudo-inversion center. In one, the pyrrolidine ring adopts a twist conformation whereas in the other it is in an envelope conformation. The crystal packing is stabilized by C-H?O hydrogen bonds.

| S-EPMC2971100 | biostudies-literature

(E,E)-3,3'-Dimethyl-1,1'-diphenyl-4,4'-{[3-aza-pentane-1,5-diylbis(aza-nedi-yl)]bis-(phenyl-methyl-idyne)}di-1H-pyrazol-5(4H)-one.

Project description:The asymmetric unit of the title compound, C(38)H(37)N(7)O(2), contains one half-mol-ecule, situated on a twofold rotational axis, in which one amino group is involved in intra-molecular N-H?O hydrogen bond and the two phenyl rings are twisted from the plane of pyrazolone ring by 26.69?(10) and 79.64?(8)°. The crystal packing exhibits no classical inter-molecular contacts.

| S-EPMC3011678 | biostudies-literature

[Oxalylbis(aza-nedi-yl)]bis-{[amino-(2-pyrid-yl)methyl-ene]ammonium}.

Project description:The title compound, C(14)H(16)N(8)O(2) (2+)·2ClO(4) (-), was prepared by reaction of bis-[amino-(2-pyrid-yl)methyl-ene]oxalohydrazide with perchloric acid. The mol-ecular symmetry is C(i) and thus the asymmetric unit comprises one half-mol-ecule. The dihedral angle between the aromatic ring and the plane of the oxamide group is 70.8 (3)°. The perchlorate anions and the cations are connected by inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC2969094 | biostudies-literature

2,2'-[1,2-Phenyl-enebis(aza-nedi-yl)]di-aceto-nitrile.

Project description:The title compound, C10H10N4, shows chemical but not crystallographic C2 symmetry. The two cyano-methyl groups are located in an anti position with respect to the aromatic ring. In the crystal, mol-ecules form parallel ladder-like tapes linked through two N-H?N hydrogen bonds. Further weak intra-molecular N-H?N hydrogen bonding is responsible for the elongation of one of the Caromatic-N bonds.

| S-EPMC3589011 | 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