Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-[4-(?-d-Allopyranos-yloxy)benzyl-idene]semicarbazide hemihydrate.

ABSTRACT: The mol-ecule of the title compound, C(14)H(19)N(3)O(7)·0.5H(2)O, exhibits an E conformation about the C=N double bond. The water mol-ecule possesses crystallographically imposed twofold symmetry. In the crystal structure, the mol-ecules are connected by inter-molecular O-H?O and N-H?O hydrogen bonds into a three-dimensional network.

SUBMITTER: Chen HF

PROVIDER: S-EPMC2979748 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-[4-(β-d-Allopyranos-yloxy)benzyl-idene]semicarbazide hemihydrate.

Chen Hua-Feng HF Bai Xue X Zhang Kuan K Li Ying Y Yin Shu-Fan SF

Acta crystallographica. Section E, Structure reports online 20100109 Pt 2

The mol-ecule of the title compound, C(14)H(19)N(3)O(7)·0.5H(2)O, exhibits an E conformation about the C=N double bond. The water mol-ecule possesses crystallographically imposed twofold symmetry. In the crystal structure, the mol-ecules are connected by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds into a three-dimensional network. ...[more]

PMID: 21579751

Similar Datasets

1-Benzyl-idene-4-ethyl-thio-semicarbazide.

Project description:The title compound, C(10)H(13)N(3)S, was prepared by the reaction of 4-ethyl-thio-semicarbazide and benzaldehyde. The dihedral angle between the benzene ring and the thio-urea unit is 8.96?(7)° and an intra-molecular N-H?N hydrogen bond generates an S(5) ring. In the crystal, inversion dimers linked by pairs of N-H?S hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC2983406 | biostudies-literature

1-(2,3,4-Trihydroxy-benzyl-idene)thio-semicarbazide.

Project description:In the title mol-ecule, C(8)H(9)N(3)O(3)S, the thio-semicarbazide =N-NH-C(=S)-NH- fragment is twist a different degree of twist in the three independent mol-ecules [dihedral angles = 7.6?(1), 11.6?(1) and 20.7?(1)°]. Intra-molecular O-H?N and O-H?O hydrogen bonds occur. In the crystal, the hydr-oxy and amino groups are hydrogen-bond donors and the O-H?O, O-H?S and N-H?O hydrogen bonds generate a layer motif.

| S-EPMC2979487 | biostudies-literature

1-(4-Chloro-benzyl-idene)-4-ethyl-thio-semicarbazide.

Project description:In the title compound, C(10)H(12)ClN(3)S, the dihedral angle between the benzene ring and the thio-urea unit is 2.35?(19)°. In the crystal, inversion dimers linked by pairs of N-H?S hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC3011671 | biostudies-literature

1-(2,3,4-Trihydroxy-benzyl-idene)-4-ethyl-thio-semicarbazide.

Project description:In the title mol-ecule, C(10)H(13)N(3)O(3)S, the thio-semicarbazide =N-NH-C(=S)-NH- fragment is twisted with respect to the aromatic ring [dihedral angle = 20.5?(1)°]. A weak N-H?S hydrogen bond [3.480?(1)?Å] links two mol-ecules about a center of inversion to generate a ring. The hydr-oxy groups are engaged in inter-molecular hydrogen bonding; the O-H?O and O-H?S hydrogen bonds generate a layer motif.

| S-EPMC2979131 | biostudies-literature

1-(3,4-Dimethyl-benzyl-idene)-4-ethyl-thio-semicarbazide.

Project description:The title compound, C(12)H(17)N(3)S, was prepared by the reaction of 4-ethyl-thio-semicarbazide and 3,4-dimethyl-benzaldehyde. The dihedral angle between the thiourea unit and the benzene ring is 7.09?(8)°. In the crystal, inversion dimers linked by pairs of N-H?S hydrogen bonds occur.

| S-EPMC2983114 | biostudies-literature

1-(2,4-Dichloro-benzyl-idene)-4-ethyl-thio-semicarbazide.

Project description:The title compound, C(10)H(11)Cl(2)N(3)S, was prepared by the reaction of 4-ethyl-thio-semicarbazide and 2,4-dichloro-benzaldehyde. It is approximately planar, the dihedral angle between the benzene ring and the thio-urea unit being 8.43?(18)°. In the crystal, inversion dimers linked by pairs of N-H?S hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC2983246 | biostudies-literature

(E)-1-[4-(Dimethyl-amino)benzyl-idene]thio-semicarbazide.

Project description:In the title mol-ecule, C(10)H(14)N(4)S, the thio-rea plane and benzene ring form a dihedral angle of 16.0?(3)?Å. In the crystal structure, inter-molecular N-H?S hydrogen bonds link the mol-ecules into ribbons extended in the [100] direction; these incorporate inversion dimers.

| S-EPMC2968255 | biostudies-literature

4-Ethyl-1-(4-methyl-benzyl-idene)thio-semicarbazide.

Project description:In the title compound, C(11)H(15)N(3)S, an intra-molecular N-H?N hydrogen bond generates an S(5) ring. In the crystal, inversion dimers linked by pairs of N-H?S bonds occur, generating an R(2) (2)(8) loop.

| S-EPMC2979434 | biostudies-literature

(Z)-1-[2-(Trifluoro-meth-yl)benzyl-idene]thio-semicarbazide.

Project description:In the crystal structure of the title compound, C(9)H(8)F(3)N(3)S, all atoms except for two of the F atoms are located on a mirror plane. In the crystal, the molecules are connected by N-H?S hydrogen bonds, forming a mol-ecular tape along the a axis.

| S-EPMC3239013 | biostudies-literature

1-[4-(Dimethyl-amino)benzyl-idene]-4-methyl-thio-semicarbazide.

Project description:In the title compound, C(11)H(16)N(4)S, an intra-molecular N-H?N hydrogen bond generates an S(5) ring. In the crystal, inversion dimers linked by pairs of N-H?S bonds occur, generating an R(2) (2)(8) loop.

| S-EPMC2979619 | 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