ABSTRACT: In the title compound, C(16)H(21)N(3)O, the mol-ecule adopts an E conformation about the central C=N double bond. The 2-methyl-pent-2-ene group is disordered over two sets of sites, with a refined occupancy ratio of 0.785?(8):0.215?(8). The dihedral angle between the essentially planar [the r.m.s. value for the major component is 0.021?(7) and its maximum deviation is 0.025?(4)?Å; the r.m.s. value for the minor component is 0.03?(4) and its maximum deviation is 0.05?(3)?Å] major and minor components of the 2-methyl-but-2-ene group is 35.9?(13)°. In the crystal, C-H?O and N-H?O hydrogen bonds link the molecules, with the same O atom acting as the acceptor. This results in C(1) (1)(4) and C(1) (1)(5)  chains.
Project description:The seven-membered ring in the title compound, C(19)H(18)N(2)O(3), adopts a boat conformation with the two phenyl-ene C atoms representing the stern and the methyl-ene C atom the prow. The dihedral angle between the best plane through the seven-membered ring (r.m.s deviation = 0.343?Å) and the phenyl substituent is 31.9?(1)°. The dihedral angle between this best plane and the best plane through the eth-oxy-carbonyl-methyl substituent (r.m.s. deviation = 0.058?Å) is 72.2?(1)°.
Project description:In the title mol-ecule, C30H35NO8, the ace-naphthyl-enone moiety, two atoms of a methyl pyrrolidine ring (N and C atoms) and four atoms of an ethyl acetate moiety (two C and two O atoms) are disordered over two sets of sites in ratio 0.532?(7):0.468?(7). The three C atoms of a di-meth-oxy-ethane ring and dioxolane ring attached with two methyl groups are disordered over two sets of sites in 0.66?(2):0.34?(2) and 0.62?(2):0.38?(2) ratios, respectively. The major and minor components of the ace-naphthyl-ene ring are essentially planar (r.m.s. deviations = 0.0254 and 0.0436?Å, respectively). The major and minor components of the pyrrolidine ring adopt C-envelope conformations with C atoms displaced by 0.492?(11) and 0.595?(7)?Å from the remaining ring atoms. One of the dioxolane rings is disordered with its major component in an envelope conformation [C displaced by 0.511?(11)?Å] and the minor fraction is more or less planar with an r.m.s. deviation of 0.070?Å. The other dioxolane ring is in an envelope conformation, with a C atom displaced by 0.438?(3)?Å from the remainder of the ring atoms. The crystal packing features C-H?O inter-actions, which generate C(9) chains.
Project description:In the title compound, C16H23N3O3S, the dihedral angles between the thio-phene ring and the almost planar di-methyl-amino-methyl-ene-amino (r.m.s. deviation = 0.005?Å) and di-methyl-amino-acryloyl (r.m.s. deviation = 0.033?Å) substituents are 6.99?(8) and 6.69?(7)°, respectively. The ester CO2 group subtends a dihedral angle of 44.92?(18)° with the thio-phene ring. An intra-molecular C-H?O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R (2) 2(14) loops. In addition, a weak C-H?? inter-action is observed.
Project description:The title compound, C(25)H(20)N(4), is a disubstituted methane derivative having two pyridyl-methyl-ene-amino-phenyl arms, one of which is essentially rigid as all atoms lie on a plane (r.m.s. deviation = 0.074?Å), whereas the other is twisted [dihedral angle between the phenyl-ene and pyridyl rings = 51.1?(4)°]. The angle at the methyl-ene C atom is 113.2?(2)°.
Project description:The five-membered ring in the the title mol-ecule, C(24)H(25)NO, fused with the phenyl-ene ring, is almost planar (r.m.s. deviation = 0.023?Å), with the methyl-ene C atom deviating most from this mean plane [0.031?(1)?Å]. The tertiary N atom shows a flattened pyramidal configuration [?(angles at N) = 350.3?(6)°].
Project description:The imidazopyridine ring system in the title compound, C(9)H(8)BrN(3)S, is almost planar [r.m.s. deviation of the C and N atoms = 0.007?(1)?Å]. The S and methyl-ene C atoms connected to the five-membered ring lie within this plane. The remaining two methyl-ene groups of the thia-zine ring are disordered over two sets of sites in a 0.817?(5):0.183?(5) ratio.
Project description:In the title cholestane derivative, C(28)H(48) [systematic name: (1S,2S,7R,10R,11R,14R,15R)-2,5,10,15-tetra-methyl-14-[(2R)-6-methyl-heptan-2-yl]tetra-cyclo-[220.127.116.11(2,7).0(11,15)]hepta-dec-4-ene], the cyclo-hexene ring adopts a half-chair conformation. The parent 5?-cholest-2-ene and the equivalent fragment of the title compound are almost superimposable (r.m.s. deviation = 0.033?Å).
Project description:The title compound, C(33)H(24)N(4), was prepared by the reaction of a bifunctional aromatic diamine (4,4'-diamino-diphenyl-methane) and an aldehyde (quinoline-2-carboxaldhyde). The mol-ecule consists of two nearly planar (or r.m.s. deviation = 0.017?Å) 4-methyl-N-[(E)-quinolin-2-yl-methyl-idene]aniline moieties, which are linked by the methyl-ene group. The angle between the mean planes of the two benzene rings connected to the methyl-ene group is 77.86?(11)°.
Project description:In the title mol-ecule, C(12)H(13)NO(5)S, the benzisothia-zole ring system is essentially planar (r.m.s. deviation = 0.0169?Å) as is the -C-C(=O)-O-C- sequence of atoms in the vicinity of the acetate group (r.m.s. deviation = 0.0044?Å). The mean plane of these atoms forms a dihedral angle of 88.41?(7)° with the benzisothia-zole ring system. In the crystal, weak C-H?O hydrogen bonds involving methyl-ene and methyne H atoms form R(4) (3)(20) graph-set motifs.
Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(12)H(12)N(2)O(3)S. With the exception of the methyl-ene groups, a mean plane fitted through all non-H atoms of each mol-ecule has an r.m.s. deviation of 0.035?Å for one mol-ecule and 0.120?Å for the second. In one of the independent mol-ecules, the methyl-ene groups was refined using a disorder model with an occupancy ratio of 0.53:0.47?(14). Each molecule features an intra-molecular O-H?O hydrogen bond, which generates an S(7) ring.