Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-[(1-Benzyl-1H-1,2,3-triazol-5-yl)methyl]-1,5-dimethyl-1,5-benzodiazepine-2,4-dione monohydrate.

ABSTRACT: In the title compound, C(21)H(21)N(5)O(2)·H(2)O, the seven-membered ring adopts a boat-shaped conformation with the methine C atom as the prow. In the crystal, the water mol-ecule links adjacent mol-ecules by O-H?O and O-H?N hydrogen bonds into a zigzag chain running along the c axis of the monoclinic cell.

SUBMITTER: Dardouri R

PROVIDER: S-EPMC2983709 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-[(1-Benzyl-1H-1,2,3-triazol-5-yl)methyl]-1,5-dimethyl-1,5-benzodiazepine-2,4-dione monohydrate.

Dardouri R R Kandri Rodi Y Y Saffon Natalie N Essassi El Mokhtar el M Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20100213 Pt 3

In the title compound, C(21)H(21)N(5)O(2)·H(2)O, the seven-membered ring adopts a boat-shaped conformation with the methine C atom as the prow. In the crystal, the water mol-ecule links adjacent mol-ecules by O-H⋯O and O-H⋯N hydrogen bonds into a zigzag chain running along the c axis of the monoclinic cell. ...[more]

PMID: 21580389

Similar Datasets

3-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-1,5-dimethyl-1,5-benzodiazepine-2,4-dione.

Project description:The title compound, C(21)H(21)N(5)O(2), is a 1,4-dimethyl-1,2,3-triazole having dimethyl-benzodiazepindione and phenyl substituents on each methyl group; the substituents are positioned on opposite sides of the five-membered ring. The seven-membered fused-ring of the larger substituent adopts a boat-shaped conformation (with the methine C atom as the prow).

| S-EPMC2983517 | biostudies-literature

1,5-Dimethyl-3-propargyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Project description:The asymmetric unit of the title compound, C(14)H(14)N(2)O(2), comprises two independent mol-ecules, which slightly differ in the orientation of the propargyl chain. In both molecules, the diazepine ring adopts a boat conformation with the propargyl-bearing C atom as the prow and the C atoms at the ring junction as the stern. The carbonyl O atom of one independent mol-ecule is hydrogen bonded to the acetyl-enic H atom of the other independent mol-ecule. In the crystal, symmetry-related mol-ecules are linked together by C-H⋯O hydrogen bonds, forming a ribbon-like structure along the c axis.

| S-EPMC3006968 | biostudies-literature

3-(12-Bromo-dodec-yl)-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Project description:The seven-membered ring in the title compound, C(23)H(35)BrN(2)O(2), adopts a boat-shaped conformation (with the C atoms of the fused-ring as the stern and the methine C atom as the prow). The bromo-dodecyl substituent occupies an equatorial position, with the dodecyl chain exhibiting an extended conformation. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3009360 | biostudies-literature

1,3-Dimethyl-3-tetra-decyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Project description:The seven-membered ring of the title compound, C(25)H(40)N(2)O(2), adopts a boat-shaped conformation (with the C atoms of the fused-ring as the stern and the methine C atom as the prow). The tetra-decyl substituent occupies an equatorial position, with the tetra-dodecyl chain exhibibiting an an all-trans conformation.

| S-EPMC3052003 | biostudies-literature

3-Benzoyl-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Project description:The seven-membered ring of the title compound, C(18)H(16)N(2)O(3), adopts a boat-shaped conformation (with the C atoms of the fused ring as the stern and the methine C atom as the prow). The substituent at the 3-position occupies an axial position, and the aromatic ring of the substituent is arched over the seven-membered ring in a parasol-like manner, the dihedral angle between the phenyl-ene and phenyl rings being 28.7?(1)°.

| S-EPMC3100047 | biostudies-other

7-Chloro-1,5-dipropargyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Project description:The seven-membered ring of the title compound, C(15)H(11)ClN(2)O(2), adopts a boat-shaped conformation (with the C atoms of the fused-ring as the stern and the methyl-ene C atom as the prow). The N atoms exists in a trigonal-planar coordination; one of the acetyl-enic H atoms forms a C-H?O hydrogen bond to the O atom of an adjacent mol-ecule, generating a linear chain along a body diagonal.

| S-EPMC3011384 | biostudies-literature

1,3,3,5-Tetra-methyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Project description:The seven-membered ring in the title compound, C(13)H(16)N(2)O(2), adopts a boat-shaped conformation (with the C atoms of the fused-ring as the stern and the C atom bearing two methyl groups) as the prow.

| S-EPMC3100004 | biostudies-literature

3-(6-Bromo-hex-yl)-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Project description:The seven-membered ring in the title compound, C(17)H(23)BrN(2)O(2), adopts a boat-shaped conformation (with the C atoms of the fused-ring as the stern and the methine C atom as the prow). The bromo-hexyl substituent occupies an equatorial position, with the hexyl chain exhibiting an extended conformation. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3009200 | biostudies-other

3-Allyl-1,5-dibenzyl-1,5-benzodiazepine-2,4-dione.

Project description:The title compound, C(26)H(24)N(2)O(2), features a benzene ring fused with a seven-membered diazepine ring; the latter ring adopts a boat conformation (with the allyl-dimethyl-amino-methyl-bearing C atom as the prow and the fused-ring C atoms as the stern).

| S-EPMC2972173 | biostudies-literature

3-Hexadecyl-1,5-dimethyl-1H-1,5-benzo-diazepine-2,4(3H,5H)-dione.

Project description:In the title mol-ecule, C(27)H(44)N(2)O(2), the seven-membered ring adopts a boat-shaped conformation, with two C atoms of the fused benzene ring forming the stern and the methine C atom forming the prow. The hexa-decyl substituent occupies an equatorial position, with the aliphatic chain exhibibiting an extended zigzag conformation.

| S-EPMC3089251 | 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