Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N'-(4-Chloro-benzyl-idene)dipyrimidin-2-amine.

ABSTRACT: The title compound, C(15)H(13)ClN(6), contains two pyrimidine rings and one benzene ring, where the dihedral angle between the planes through the pyrimidine rings is 81.57?(10)°, and those between the pyrimidine rings and the benzene ring are 84.02?(8) and 89.46?(7)°, indicating that the three rings are almost perpendicular. In the crystal, inter-molecular N-H?N hydrogen bonds link the mol-ecules into infinite chains along (100).

SUBMITTER: Tabatabaee M

PROVIDER: S-EPMC2971878 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

N,N'-(4-Chloro-benzyl-idene)dipyrimidin-2-amine.

Tabatabaee Masoumeh M Masoodpour Leila L Gassemzadeh Mitra M Hakimi Fatemeh F

Acta crystallographica. Section E, Structure reports online 20091104 Pt 12

The title compound, C(15)H(13)ClN(6), contains two pyrimidine rings and one benzene ring, where the dihedral angle between the planes through the pyrimidine rings is 81.57 (10)°, and those between the pyrimidine rings and the benzene ring are 84.02 (8) and 89.46 (7)°, indicating that the three rings are almost perpendicular. In the crystal, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into infinite chains along (100). ...[more]

PMID: 21578719

Similar Datasets

N-(4-Chloro-benzyl-idene)-1-naphthyl-amine.

Project description:The title compound, C(17)H(12)ClN, represents a trans isomer with respect to the C=N bond; the dihedral angle between the planes of the naphthyl and benzene groups is 66.53 (5)°.

| S-EPMC3007923 | biostudies-literature

N-(4-Chloro-benzyl-idene)-3,4-dimethyl-isoxazol-5-amine.

Project description:The mol-ecule of the title compound, C(12)H(11)ClN(2)O, has E configuration at the azomethine double bond and is virtually planar with a dihedral angle of 1.25?(13)° between the benzene and isoxazole rings. C-H?? inter-actions stabilize the crystal structure.

| S-EPMC3007510 | biostudies-literature

rac-(E,E)-N,N'-Bis(2-chloro-benzyl-idene)cyclo-hexane-1,2-di-amine.

Project description:In the title racemic Schiff base ligand, C20H20Cl2N2, which was prepared by the condensation of 2-chloro-benzaldehyde and cyclo-hexane-1,2-di-amine, the cyclo-hexane ring adopts a chair conformation and the dihedral angle between the aromatic rings of the 2-chloro-phenyl substituent groups is 62.52 (8)°. In the structure, there are two short intra-molecular methine C-H⋯Cl inter-actions [C⋯Cl = 3.066 (2) and 3.076 (3) Å], and in the crystal there are also weak inter-molecular aromatic C-H⋯Cl [3.464 (3), 3.553 (3) and 3.600 (3) Å] and Cl⋯Cl [3.557 (3) and 3.891 (3) Å] contacts.

| S-EPMC3770357 | biostudies-literature

Benzyl N'-(2-chloro-benzyl-idene)hydrazinecarbodithio-ate.

Project description:The asymmetric unit of the title compound, C(15)H(13)ClN(2)S(2), contains two independent mol-ecules, which are linked into a pseudo-centrosymmetric dimer by inter-molecular N-H⋯S hydrogen bonds. The aromatic rings form dihedral angles of 67.06 (3) and 81.85 (2)° in the two independent mol-ecules.

| S-EPMC2960048 | biostudies-literature

3-Chloro-N'-(2-chloro-benzyl-idene)benzohydrazide.

Project description:The title compound, C(14)H(10)Cl(2)N(2)O, was prepared from the reaction of 2-chloro-benzaldehyde with 3-chloro-benzo-hydrazide in methanol. The mol-ecule adopts an E configuration about the methyl-idene unit and the two aromatic rings form a dihedral angle of 13.8 (2)°. In the crystal, mol-ecules are linked via inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, forming chains along the c axis.

| S-EPMC3051651 | biostudies-literature

2-Chloro-N'-(2-chloro-benzyl-idene)benzohydrazide.

Project description:The mol-ecule of the title compound, C(14)H(10)Cl(2)N(2)O, adopts an E configuration about the C=N bond. The dihedral angle between the two benzene rings is 79.7 (2)°. In the crystal structure, mol-ecules are linked by inter-molecular N-H⋯O, C-H⋯Cl and C-H⋯O hydrogen bonds, forming chains running along the b axis.

| S-EPMC2970987 | biostudies-literature

(2,4-Di-chloro-benzyl-idene)[2-(1<i>H</i>-indol-3-yl)eth-yl]amine.

Project description:In the title compound, C17H14Cl2N2, the mol-ecule exists in an E configuration with respect to the C=N bond of the Schiff base fragment. The dihedral angle between the indole ring system and the benzene ring is 80.86 (12)°. In the crystal, mol-ecules are connected by N-H⋯N hydrogen bonds, generating a C(7) chain extending along the a-axis direction. No aromatic π-π stacking occurs but weak C-H⋯π inter-actions are observed.

| S-EPMC10561229 | biostudies-literature

(E)-4-Chloro-N'-(2-chloro-benzyl-idene)benzohydrazide.

Project description:The title compound, C(14)H(10)Cl(2)N(2)O, was synthesized by the reaction of 2-chloro-benzaldehyde with an equimolar quantity of 4-chloro-benzohydrazide in methanol. The mol-ecule displays an E configuration about the C=N bond. The dihedral angle between the two benzene rings is 8.6?(2)°. In the crystal structure, mol-ecules are linked through inter-molecular N-H?O hydrogen bonds, forming chains running along the c axis.

| S-EPMC2970258 | biostudies-literature

N-Benzyl-2-chloro-quinazolin-4-amine.

Project description:The asymmetric unit of the title compound, C15H12ClN3, contains two independent mol-ecules. The quinazoline ring system in each is essentially planar, with maximum deviations of 0.025?(16) and 0.0171?(16)?Å. The dihedral angles between quinazoline ring systems and the phenyl rings are 88.25?(8) and 85.28?(16)° in the two independent mol-ecules. In the crystal, alternating independent mol-ecules are linked by N-H?N hydrogen bonds, forming chains along [001].

| S-EPMC4011242 | biostudies-literature

4-(4-Chloro-phen-yl)-N-[(E)-4-(dimethyl-amino)-benzyl-idene]-1,3-thia-zol-2-amine.

Project description:The title compound, C(18)H(16)ClN(3)S, adopts an extended mol-ecular structure. The thia-zole ring is inclined by 9.2?(1) and 15.3?(1)° with respect to the chloro-phenyl and 4-(dimethyl-amino)-phenyl rings, respectively, while the benzene ring planes make an angle of 19.0?(1)°. A weak inter-molecular C-H?? contact is observed in the crystal structure.

| S-EPMC3213556 | 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