4-Dichloromethyl-4-methyl-5-(nitromethyl)cyclohex-2-enone (original) (raw)
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3-(4-Chloroanilino)-5,5-dimethylcyclohex-2-en-1-one
Acta Crystallographica Section E Structure Reports Online, 2012
The asymmetric unit of the title compound, C14H16ClNO, contains two independent molecules, both with the cyclohexene ring in a sofa conformation. In the crystal, N—H...O hydrogen bonds link the molecules related by translation along theaaxis into two crystallographically independent chains. Weak C—H...π interactions are also observed.
n -Undecanyl 2-(2,4-dichloroanilino)-4,4-dimethyl-6-oxocyclohex-1-enecarbodithioate
Acta Crystallographica Section E Structure Reports Online, 2009
The six-membered cyclohexene ring in the title compound, C 26 H 37 Cl 2 NOS 2 , adopts an envelope-shaped conformation, with the C atom bearing the two methyl groups representing the flap. This atom deviates by 0.658 (7) Å from the plane passing through the other five atoms of the ring (r.m.s. deviation = 0.005 Å). The molecular conformation is stabilized by an N-HÁ Á ÁS hydrogen bond. Related literature For background, see: El Ashry et al. (2009). Experimental Crystal data C 26 H 37 Cl 2 NOS 2 M r = 514.59 Orthorhombic, Pna2 1 a = 14.6145 (4) Å b = 31.378 (1) Å c = 5.9332 (2) Å V = 2720.8 (2) Å 3 Z = 4 Mo K radiation = 0.41 mm À1 T = 100 K 0.30 Â 0.20 Â 0.02 mm Data collection Bruker SMART APEX diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.665, T max = 0.992 24605 measured reflections 6244 independent reflections 4130 reflections with I > 2(I) R int = 0.084
… Section E: Structure …, 2010
Each of the cyclohexenone rings in the title compound, C23H27NO6, adopts a half-chair (envelope) conformation with the C atom carrying the methyl groups lying out of the plane defined by the five remaining C atoms; the O atoms lie to the same side of the molecule as the respective >C(CH3)2 atoms. The hydroxy and carbonyl O atoms face each other and are orientated to allow for the formation of two intramolecular O—HO hydrogen bonds. In the crystal, the presence of C—HO contacts leads to the formation of supramolecular chains along the b axis. These aggregate into layers that stack along c.
3-Anilino-5,5-dimethylcyclohex-2-enone
Acta Crystallographica Section E Structure Reports Online, 2014
Key indicators: single-crystal X-ray study; T = 150 K; mean (C-C) = 0.001 Å; R factor = 0.047; wR factor = 0.138; data-to-parameter ratio = 34.2.
( R )-2-Methyl-5-[( R )-2,4,4,4-tetrachlorobutan-2-yl]cyclohex-2-enone
Acta Crystallographica Section E Structure Reports Online, 2012
The title compound, C11H14Cl4O, was efficiently synthesized by atom-transfer radical addition between (R)-carvone and tetrachloromethane. In the molecule, both chiral centres are of the absolute configurationR. The cyclohex-2-enone ring has an envelope conformation with the chiral C atom displaced by 0.633 (2) Å from the mean plane through the other five C atoms [maximum deviation = 0.036 (2) Å]. In the crystal, molecules are linkedviaC—H...O interactions, leading to the formation of helical chains propagating along [100].
Ethyl (2 Z )-3-hydroxy-3-(4-nitrophenyl)prop-2-enoate
Acta Crystallographica Section E Structure Reports Online, 2014
The title compound, C11H11NO5, is essentially planar, with an r.m.s. deviation of 0.06 Å. The molecular structure is stabilized by an intramolecular O—H...O hydrogen bond. In the crystal, molecules are linked by two pairs of C—H...O hydrogen bonds, forming sheets, lying parallel to (101), which encloseR44(26) ring motifs.