115 research outputs found
Second monoclinic modification of cyclohexane-1,1-dicarbonitrile
In the title compound, C8H10N2, the cyclohexane ring adopts a chair conformation. he crystal structure of the previously reported monoclinic modification have intramolecular CN⋯CN and C—H⋯N interactions. These types of interaction are not present in this new modification whose crystal structure is built up by van der Waals interactions
2-Anilino-3-(2-hydroxypropyl)-4-methyl-1,3-thiazol-3-ium chloride
In the title compound, C13H17N2OS+·Cl−, the thiazolium ring mean plane makes a dihedral angle of 55.46 (9)° with the benzene ring. In the propanol group, the N—C—C—C and N—C—C—O torsion angles are 172.58 (15) and 52.9 (2)°, respectively, and the S—C—C—C torsion angle is 178.99 (18)°. In the crystal, molecules are linked by O—H⋯Cl and N—H⋯Cl hydrogen bonds, forming zigzag chains along [001]. There is also a C—H⋯Cl interaction present
N-tert-Butyl-3-mesitylpropanamide
In the title compound, C16H25NO, the N-tert-butylpropanamide fragment is essentially planar, with the exception of two C atoms of the tert-butyl group (r.m.s. deviation = 0.005 Å), forming a dihedral angle of 84.09 (10)° with the plane of the mesityl fragment (r.m.s. deviation = 0.002 Å). The crystal packing is stabilized by an intermolecular N—H⋯O hydrogen bond, which links the molecules into chains with graph-set notation C(4) running parallel to the c axis
9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxypropyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
The dihydropyridine ring in the title compound, C26H32BrNO4, adopts an envelope conformation with the methine C atom representing the flap. The cyclohexenone rings also adopt envelope conformations. The phenolic hydroxy group forms an intramolecular hydrogen bond to one of the two keto O atoms. Intermolecular weak C—H⋯O hydrogen bonding is present in the crystal structure. The hydroxypropyl group is disordered over two sets of sites with an occupancy ratio of 0.636 (6):0.364 (6)
3-[2-Hydroxy-3-(2,4,6-trimethylphenyl)propyl]-3-methyl-1-phenylthiourea
In the title compound, C20H26N2OS, four non-H atoms of the thiourea unit are approximately planar (r.m.s. deviation = 0.005 Å); the phenyl and benzene rings are twisted out of this plane by 28.55 (7) and 60.00 (7)°, respectively. An intramolecular N—H⋯O hydrogen bond occurs. The hydroxy group is hydrogen bonded to the double-bond S atom of an inversion-related molecule, generating a hydrogen-bonded dimer in the crystal structure
2,6-Di-tert-butyl-4-(3-chloro-2-hydroxypropyl)phenol
In the title 2-propanol derivative, C17H27ClO2, the two tert-butyl groups both have one methyl C atom lying in the plane of the aromatic ring. In the crystal, the phenol group forms a hydrogen bond to the hydroxy O atom belonging to the alkyl substituent of an adjacent molecule, forming a chain along the ac diagonal. The Cl atom is disordered over two positions in a 0.73 (4):0.27 (4) ratio
4a-Hydroxy-3,3,6,6-tetramethyl-9-[6-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)pyridin-2-yl]-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-xanthene-1,8-dione ethanol hemisolvate hemihydrate
The pyridine ring in the title compound, C39H47NO7·0.5C2H5OH·0.5 H2O, is connected to one 3,3,6,6-tetramethyl-1,8-dioxoxanthenyl and one 4a-hydroxy-3,3,6,6-tetramethyl-1,8-dioxodecahydroxanthenyl substituent in the 2- and 6-positions of the ring. In the former substituent, the six-membered xanthenyl ring adopts a flattened envelope conformation (with the methine C atom as the flap) while in the latter, the six-membered xanthenyl ring adopts a twisted envelope conformation (with the C atom bearing the hydroxy group representing the flap). The hydroxy H atom forms an intramolecular hydrogen bond to the pyridyl N atom. An ethanol solvent molecule is disordered with respect to a water molecule in a 1:1 ratio. The water molecule itself is disordered over two positions of equal occupancy
1-Methylamino-3-(2,4,6-trimethylphenyl)propan-2-ol
The methylaminopropyl chain in the title compound, C13H21NO, adopts an extended zigzag conformation and the N atom shows a trigonal coordination. The N atom acts as hydrogen-bond acceptor to the hydroxy group of an adjacent molecule, generating a helical chain running along the b axis. The amino H atom is not involved in hydrogen bonding
10-(2-Hydroxyethyl)-9-(2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
The dihydropyridine ring in the title compound, C25H31NO4, adopts an envelope conformation with the methine C atom representing the flap. The cyclohexenone rings also adopt envelope conformations with the C atoms bearing the methyl C atoms representing the flaps. The phenolic hydroxy group forms an intramolecular hydrogen bond to one of the two keto O atoms. The hydroxy group of the N-bonded alkyl chain forms an intermolecular hydrogen bond to the other keto O atom of an adjacent molecule. The latter hydrogen bond leads to the formation of a helical chain running along the b axis
4-(2,4,6-Trimethylbenzyl)-1,3-thiazol-2-amine
The methylene C atom in the title compound, C13H16N2S, is connected to a five-membered thiazole ring and a mesityl substituent. The rings are aligned at 75.4 (1)°. The amino substitutent interacts with the ring N atom of an adjacent molecule by an intermolecular N—H⋯N hydrogen bond, generating a helical chain running along the b axis
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