Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(E)-N-Benzyl-ideneadamantan-1-amine.

ABSTRACT: In the title compound, C(17)H(21)N, the dihedral angle between the benzene ring and the imine group (-N=) is 5.1?(4)°. In the adamantane group, the C-C-C bond angles range from 107.88?(19) to 111.33?(17)°. Only weak van der Waals inter-actions contribute to the contribute to the packing of the molecules in the crystal..

SUBMITTER: Jin XD

PROVIDER: S-EPMC3344076 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(E)-N-Benzyl-ideneadamantan-1-amine.

Jin Xu-Dong XD Yin Xue-Yue XY Wang Hai-Bo HB Chang Xiao-Hong XH Jin Yue-Hong YH

Acta crystallographica. Section E, Structure reports online 20120321 Pt 4

In the title compound, C(17)H(21)N, the dihedral angle between the benzene ring and the imine group (-N=) is 5.1 (4)°. In the adamantane group, the C-C-C bond angles range from 107.88 (19) to 111.33 (17)°. Only weak van der Waals inter-actions contribute to the contribute to the packing of the molecules in the crystal.. ...[more]

PMID: 22589985

Similar Datasets

N-Benzyl-pyridin-2-amine.

Project description:In the crystal of the title compound, C(12)H(12)N(2), inter-molecular N-H?N hydrogen bonds form rings of graph-set motif R(2) (2)(8) and C-H?? inter-actions further consolidate the dimers. Neighbouring dimers are further connected into a three-dimensional network by C-H?? inter-actions. The benzyl and pyridyl rings form a dihedral angle of 67.2?(1)°

| S-EPMC3011452 | biostudies-literature

3-Benzyl-oxypyridin-2-amine.

Project description:In the title compound, C(12)H(12)N(2)O, the dihedral angle between the planes of the pyridine and phenyl rings plane is 35.94?(12)°. In the crystal structure, centrosymmetrically related mol-ecules are linked by a pair of N-H?N hydrogen bonds, forming a dimer with an R(2) (2)(8) ring motif. In addition, there is an intra-molecular N-H?O inter-action.

| S-EPMC2960608 | biostudies-literature

N-Benzyl-pyridin-2-amine.

Project description:In the title compound, C(12)H(12)N(2), the dihedral angle between the benzene and pyridine rings is 67.63?(8)°. Mol-ecules are linked into centrosymmetric dimers by a simple inter-molecular N-H?N hydrogen bond with graph-set motif R(2) (2)(8).

| S-EPMC3011657 | biostudies-literature

9-Benzyl-6-benzyl-sulfanyl-9H-purin-2-amine.

Project description:In the title compound, C19H17N5S, the dihedral angles between the purine ring system (r.m.s. deviation = 0.009 Å) and the S-bound and methyl-ene-bound phenyl rings are 74.67 (8) and 71.28 (7)°, respectively. In the crystal, inversion dimers linked by pairs of N-H⋯N hydrogen bonds generate R 2 (2)(8) loops. C-H⋯N inter-actions link the dimers into (100) sheets.

| S-EPMC3998501 | 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

N-Benzyl-9-isopropyl-9H-purin-6-amine.

Project description:The asymmetric unit of the title compound, C15H17N5, consists of two mol-ecules in which the dihedral angles between the best planes of the purine ring system (r.m.s. deviations = 0.0060 and 0.0190?Å) and the benzene ring are 89.21?(3) and 82.14?(4)°. The mol-ecules within the asymmetric unit are linked into dimers by pairs of N-H?N hydrogen bonds. Weak C-H?? contacts and ?-? inter-actions [centroid-centroid = 3.3071?(1)?Å] further connect the mol-ecules into a three-dimensional network.

| S-EPMC3685095 | biostudies-literature

N-Benzyl-thieno[3,2-d]pyrimidin-4-amine.

Project description:The title compound, C13H11N3S, crystallizes with two independent mol-ecules in the asymmetric unit. The two mol-ecules are geometrically very similar and differ mainly in a spatial orientation of the benzene and thieno[3,2-d]pyrimidine ring systems [dihedral angles = 69.49?(4) and 79.05?(3)°]. The nine-membered thieno[3,2-d]pyrimidine moieties have a planar conformation (r.m.s. deviations = 0.020 and 0.012?Å). In the crystal, mol-ecules are linked through N-H?N, N-H?C and C-H?? non-covalent contacts into chains along the c axis, while neighbouring chains are connected via C-H?N inter-actions.

| S-EPMC3648234 | biostudies-literature

N-(4-Bromo-benzyl-idene)naphthalen-1-amine.

Project description:The title mol-ecule, C(17)H(12)BrN, is in a E conformation with respect to the C=N bond. The dihedral angle between the naphthalene ring system and the benzene ring is 53.26?(3)°.

| S-EPMC3379268 | biostudies-literature

3-Benzyl-sulfanyl-1H-1,2,4-triazol-5-amine.

Project description:In the title mol-ecule, C(9)H(10)N(4)S, the dihedral angle between the benzene and triazole rings is 81.05?(5)°. In the crystal, N-H?N hydrogen bonds link the mol-ecules into infinite zigzag chains along [010].

| S-EPMC3254435 | biostudies-literature

N,N-Bis(diphenyl-phosphan-yl)benzyl-amine.

Project description:In the title compound, C(31)H(27)NP(2), the diphenyl-phosphanyl groups are staggered relative to the PNP backbone. The N atom is displaced by 0.219?(2)?Å from the plane formed by the two P atoms and the methylene C atom. The angles around the N atom are 120.84?(16), 113.29?(16) and 120.57?(12)°, indicating that it exhibits a distorted trigonal-pyramidal geometry. There are no classical inter-molecular inter-actions.

| S-EPMC3051494 | 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