Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(1H-Benzotriazol-1-yl)-1-(2-chloro-benzo-yl)ethyl 4-methyl-benzoate.

ABSTRACT: In the mol-ecule of the title compound, C(23)H(18)ClN(3)O(3), the essentially planar benzotriazole ring makes dihedral angles of 52.93?(1) and 85.21?(1)°, respectively, with the chloro-phenyl and tolyl rings. The crystal packing is stabilized by ?-? [centroid-to-centroid distance 3.830?(2)?Å, interplanar distance 3.705?Å, slippage 0.968?Å]; C-H???tolyl ring inter-actions are also present.

SUBMITTER: Jiang LB

PROVIDER: S-EPMC2962228 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(1H-Benzotriazol-1-yl)-1-(2-chloro-benzo-yl)ethyl 4-methyl-benzoate.

Jiang Lin-Bin LB Li Lin L Liu Yao Y Tian Na-Na NN Wan Jun J

Acta crystallographica. Section E, Structure reports online 20080731 Pt 8

In the mol-ecule of the title compound, C(23)H(18)ClN(3)O(3), the essentially planar benzotriazole ring makes dihedral angles of 52.93 (1) and 85.21 (1)°, respectively, with the chloro-phenyl and tolyl rings. The crystal packing is stabilized by π-π [centroid-to-centroid distance 3.830 (2) Å, interplanar distance 3.705 Å, slippage 0.968 Å]; C-H⋯π⋯tolyl ring inter-actions are also present. ...[more]

PMID: 21203309

Similar Datasets

2-(1H-Benzotriazol-1-yl)-1-(4-ethyl-benzo-yl)ethyl 2-chloro-benzoate.

Project description:In the crystal structure of the title compound, C(24)H(20)ClN(3)O(3), weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains extended along the a axis. The crystal studied was found to be an inversion twin.

| S-EPMC2969880 | biostudies-literature

2-(1H-Benzotriazol-1-yl)-1-(3-methyl-benzo-yl)ethyl benzoate.

Project description:In the title mol-ecule, C(23)H(19)N(3)O(3), the dihedral angles between the mean plane of the benzotriazole ring system and the benzene and phenyl rings are 9.67?(9) and 86.08?(10)°, respectively. The dihedral angle between the benzene and phenyl rings is 85.89?(11)°. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link mol-ecules into chains along [010].

| S-EPMC2977413 | biostudies-literature

2-(1H-Benzotriazol-1-yl)-1-(4-bromo-benzo-yl)ethyl 2-chloro-benzoate.

Project description:In the title compound, C(22)H(15)BrClN(3)O(3), the benzotriazole ring system makes dihedral angles of 2.43?(1) and 71.51?(1)° with the bromo-phenyl and chloro-phenyl rings, respectively; the angle between the latter two rings is 69.26?(1)°. In the crystal structure, mol-ecules are linked into chains by inter-molecular C-H?O hydrogen bonds. The crystal packing is further stabilized by ?-? (with a centroid-centroid distance of 3.764?Å) and C-H?? inter-actions.

| S-EPMC2968311 | biostudies-literature

2-(1H-Benzotriazol-1-yl)-1-(2-fluoro-benzo-yl)ethyl 4-methyl-benzoate.

Project description:In the crystal structure of the title compound, C(23)H(18)FN(3)O(3), inter-molecular C-H?N hydrogen bonds link the mol-ecules into chains extended along the c axis. The packing is further stabilized by weak C-H?O and C-H?F inter-actions. The F atom is disordered over two equally occupied 1- and 5-positions of the benzene ring.

| S-EPMC2977322 | biostudies-literature

2-(1H-Benzotriazol-1-yl)-1-(4-bromo-benzo-yl)ethyl 4-methyl-benzoate.

Project description:In the mol-ecule of the title compound, C(23)H(18)BrN(3)O(3), the benzotriazole mean plane makes dihedral angles of 1.26 (1) and 87.39 (1)° with the tolyl and bromophenyl benzene rings, respectively, and the dihedral angle between the benzene rings is 87.27 (1)°. In the crystal structure, mol-ecules are linked into chains along the a axis by C-H⋯O inter-molecular hydrogen bonds. The structure is further stabilized by C-H⋯π and π-π inter-actions, with a distance of 3.700 (1) Å between the centroids of the bromophenyl and benzotriazole benzene rings related by symmetry code (x, -1 + y, z).

| S-EPMC2915192 | biostudies-literature

2-(1H-1,2,3-Benzotriazol-1-yl)-1-(4-ethyl-benzo-yl)ethyl 2,4-dichloro-benzoate.

Project description:In the title mol-ecule, C(24)H(19)Cl(2)N(3), the dihedral angles between the benzotriazole group and the ethyl- and dichloro-substituted benzene rings are 16.53 (1) and 82.09 (1)°, respectively. The crystal structure is stabilized by weak inter-molecular C-H⋯O inter-actions.

| S-EPMC2961193 | biostudies-literature

(1H-1,2,3-Benzotriazol-1-yl)methyl benzoate.

Project description:In the title compound, C(14)H(11)N(3)O(2), the dihedral angle between the phenyl ring and the benzotriazole ring system is 76.80 (19)° and the mol-ecule has an L-shaped conformation. In the crystal, weak aromatic π-π stacking is observed, the closest centroid-centroid distance being 3.754 (2) Å.

| S-EPMC3344535 | biostudies-literature

2-(1H-Benzotriazol-1-yl)-1-(3-bromo-benzo-yl)ethyl benzoate.

Project description:In the title compound, C(22)H(16)BrN(3)O(3), the dihedral angles between the benzotriazole mean plane and the benzene rings of 4.84?(1) and 89.50?(1)°. The dihedral angle between the two benzene rings is 84.77?(1)°. In the crystal structure, mol-ecules are linked into chains by inter-molecular C-H?O hydrogen bonds. The crystal packing is further stabilized by C-H?? inter-actions.

| S-EPMC2968290 | biostudies-other

4-(4-Chloro-benzo-yl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 4-chloro-benzoate.

Project description:In the title compound, C(24)H(16)Cl(2)N(2)O(3), the three benzene rings are twisted with respect to the central pyrazole ring, making dihedral angles of 71.56 (9) (4-chloro-benzo-yloxy), 57.55 (8) (4-chloro-benzo-yl) and 39.33 (1)° (phen-yl).

| S-EPMC3239043 | biostudies-literature

2-(1H-Benzotriazol-1-yl)-1-(3-methoxy-benzo-yl)ethyl isonicotinate.

Project description:In the title compound, C(22)H(18)N(4)O(4), mol-ecules are linked to each other by C-H?N and C-H?O inter-molecular hydrogen-bonding inter-actions. The crystal packing is further stabilized by C-H??, and ?-? inter-actions with a distance of 3.783?(3)?Å between the centroids of the benzene rings of the benzotriazole system.

| S-EPMC2968212 | 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