Unknown

Dataset Information

0

3-(2-Amino-5-nitro-anilino)-5,5-dimethyl-cyclo-hex-2-en-1-one 0.25-hydrate.

ABSTRACT: The asymmetric unit of the title compound, C(14)H(17)N(3)O(3)·0.25H(2)O, comprises two independent organic mol-ecules and a water mol-ecule lying on a crystallographic twofold rotation axis with 50% site occupancy. In both independent mol-ecules, the cyclo-hexene rings adopt envelope conformations but superposition of the two molecules shows that the flap atoms point in opposite directions. In the crystal, N-H?O and C-H?O hydrogen bonds inter-connect adjacent mol-ecules into a three-dimensional network. Weak inter-molecular ?-? aromatic stacking inter-actions [centroid-centroid distances = 3.4985?(9) and 3.6630?(9)?Å] are also observed.

SUBMITTER: Mehdi SH 

PROVIDER: S-EPMC3008006 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

3-(2-Amino-5-nitro-anilino)-5,5-dimethyl-cyclo-hex-2-en-1-one 0.25-hydrate.

Mehdi Sayed Hasan SH   Hashim Rokiah R   Ghalib Raza Murad RM   Goh Jia Hao JH   Fun Hoong-Kun HK  

Acta crystallographica. Section E, Structure reports online 20100828 Pt 9

The asymmetric unit of the title compound, C(14)H(17)N(3)O(3)·0.25H(2)O, comprises two independent organic mol-ecules and a water mol-ecule lying on a crystallographic twofold rotation axis with 50% site occupancy. In both independent mol-ecules, the cyclo-hexene rings adopt envelope conformations but superposition of the two molecules shows that the flap atoms point in opposite directions. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds inter-connect adjacent mol-ecules into a three-dimensional  ...[more]

Similar Datasets

Unknown 3-(4-Chloro-anilino)-5,5-dimethyl-cyclo-hex-2-en-1-one.
| S-EPMC3344021 | biostudies-literature
Unknown 2-Iodo-3-(4-meth-oxy-anilino)-5,5-dimethyl-cyclo-hex-2-en-1-one.
| S-EPMC3275251 | biostudies-literature
Unknown 3-(4-Chloro-anilino)-2,5-dimethyl-cyclo-hex-2-en-1-one.
| S-EPMC3089366 | biostudies-literature
Unknown Crystal structure of 3-amino-5,5-dimethyl-2-[(E)-2-nitro-ethen-yl]cyclo-hex-2-en-1-one.
| S-EPMC4257328 | biostudies-literature
Unknown 3-Hy-droxy-2-[(2-hy-droxy-4,4-dimethyl-6-oxocyclo-hex-1-en-1-yl)(3-nitro-phen-yl)meth-yl]-5,5-dimethyl-cyclo-hex-2-en-1-one.
| S-EPMC3009059 | biostudies-literature
Unknown (E)-3-Hy-droxy-5,5-dimethyl-2-(3-phenyl-prop-2-en-1-yl)cyclo-hex-2-en-1-one.
| S-EPMC3200708 | biostudies-literature
Unknown 3-Anilino-5,5-di-methyl-cyclo-hex-2-enone.
| S-EPMC3998468 | biostudies-literature
Unknown 2,2'-[(E)-3-(4-Nitro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one).
| S-EPMC3414961 | biostudies-literature
Unknown 3-Hy-droxy-2-[(4-hy-droxy-3,5-dimeth-oxy-phen-yl)(2-hy-droxy-4,4-dimethyl-6-oxo-cyclo-hex-1-en-1-yl)meth-yl]-5,5-dimethyl-cyclo-hex-2-en-1-one.
| S-EPMC3051563 | biostudies-literature
Unknown 2,2'-[(4-Eth-oxy-phen-yl)methyl-ene]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one).
| S-EPMC3435667 | biostudies-literature