Browsing by Author "Malladi, S."

Now showing 1 - 20 of 78

1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1, 4-dihydropyridin-3-yl]ethanone monohydrate
(2012) Isloor, A.M.; Malladi, S.; Sundershan, S.; Gerber, T.; Hosten, E.; Betz, R.
In the title compound, C20H21N3O 2 H2O, the aza-substitued six-membered ring adopts a L4 B conformation. In the crystal, classical N-H?O, N-H?N and O-H?O hydrogen bonds connect the entities into a three-dimensional network. Intramolecular C-H?O contacts are also observed.
1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1, 4-dihydropyridin-3-yl]ethanone monohydrate
(2012) Islor, A.M.; Malladi, S.; Sundershan, S.; Gerber, T.; Hosten, E.; Betz, R.
In the title compound, C20H21N3O 2·H2O, the aza-substitued six-membered ring adopts a L4 B conformation. In the crystal, classical N-H?O, N-H?N and O-H?O hydrogen bonds connect the entities into a three-dimensional network. Intramolecular C-H?O contacts are also observed.
2-(4-Methylanilino)acetohydrazide
(2009) Fun, H.-K.; Yeap, C.S.; Malladi, S.; Padaki, M.; Isloor, A.M.
In the title mol-ecule, C9H13N9O, the non-hydrogen atoms of the hydrazide group are essentially planar [maximum deviation = 0.028 (1) for one of the N atoms]. The mean plane of this group forms a dihedral angle of 83.34 (5) with the plane of the benzene ring. In the crystal structure, molecules are linked by inter-molecular N - H?O, N - H?N and weak C - H?N hydrogen bonds into a two-dimensional network parallel to the ab plane. Additional stabilization is provided by a weak C - H?? inter-action. Fun et al. 2009.
2-(4-Methylanilino)acetohydrazide
(2009) Fun, H.-K.; Yeap, C.S.; Malladi, S.; Padaki, M.; Isloor, A.M.
In the title mol-ecule, C9H13N9O, the non-hydrogen atoms of the hydrazide group are essentially planar [maximum deviation = 0.028 (1) Å for one of the N atoms]. The mean plane of this group forms a dihedral angle of 83.34 (5)° with the plane of the benzene ring. In the crystal structure, molecules are linked by inter-molecular N - H?O, N - H?N and weak C - H?N hydrogen bonds into a two-dimensional network parallel to the ab plane. Additional stabilization is provided by a weak C - H?? inter-action. © Fun et al. 2009.
2-(4-methylphenoxy)acetohydrazide
(2011) Fun, H.-K.; Quah, C.K.; Malladi, S.; Vijesh, A.M.; Isloor, A.M.
In the title compound, C9H12N2O 2, the acetohydrazide group is approximately planar [maximum deviation = 0.034 (2) ]. In the crystal, molecules are linked via intermolecular N - H?O, N - H?N and C - H?O hydrogen bonds into infinite two-dimensional networks parallel to (001).
2-(4-methylphenoxy)acetohydrazide
(2011) Fun, H.-K.; Ching Kheng, C.K.; Malladi, S.; Vijesh, A.M.; Isloor, A.M.
In the title compound, C9H12N2O 2, the acetohydrazide group is approximately planar [maximum deviation = 0.034 (2) Å]. In the crystal, molecules are linked via intermolecular N - H?O, N - H?N and C - H?O hydrogen bonds into infinite two-dimensional networks parallel to (001).
2-[(E)-4-Diethylamino-2-hydroxybenzyl-idene]hydrazinecarboxamide
(2012) Fun, H.-K.; Ooi, C.W.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.
Two molecules make up the asymmetric unit of the title compound, C 12H 18N 4O 2, and both feature an intramolecular O - H?N hydrogen bond, which generates an S(6) ring. The diethylamino group of one of the molecules is disordered over two sets of sites in a 0.59 (2):0.41 (2) ratio. In the crystal, N - H?O hydrogen bonds link the molecules into sheets lying parallel to the ac plane and C - H?? interactions are also observed.
2-[(E)-4-Diethylamino-2-hydroxybenzyl-idene]hydrazinecarboxamide
(2012) Fun, H.-K.; Ooi, C.W.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.
Two molecules make up the asymmetric unit of the title compound, C 12H 18N 4O 2, and both feature an intramolecular O - H?N hydrogen bond, which generates an S(6) ring. The diethylamino group of one of the molecules is disordered over two sets of sites in a 0.59 (2):0.41 (2) ratio. In the crystal, N - H?O hydrogen bonds link the molecules into sheets lying parallel to the ac plane and C - H?? interactions are also observed.
(2E)-1-(2,4-Dichlorophenyl)-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl] prop-2-en-1-one
(2012) Isloor, A.M.; Malladi, S.; Gerber, T.; Brecht, B.V.; Betz, R.
In the title compound, C 24H 15Cl 2N 3O 3, the C=C double bond is E configured. The 1-phenyl-1H-pyrazole moiety is roughly planar (r.m.s. deviation of all fitted non-H atoms = 0.0780 ), but the mean planes of the two components are inclined at an angle of 9.95 (7) . The mean plane defined by the non-H atoms of the 1H-pyrazole ring encloses angles of 9.95 (7), 24.54 (6) and 43.02 (6) with the mean planes of the different benzene rings. In the crystal, C - H?O contacts are present and result in the formation of a double-layer two-dimensional network lying parallel to (110). The shortest inter-centroid distance between two aromatic systems is 3.5455 (7) and is apparent between two pyrazole systems. Further ?-? interactions are manifest between a pair of 4-nitrophenyl rings [centroid-to-centroid distance = 3.6443 (7) ] and a pair of 2,4-dichlorophenyl rings [centroid-to-centroid distance = 3.7797 (7) ].
(2E)-1-(2,4-Dichlorophenyl)-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl] prop-2-en-1-one
(2012) Isloor, A.M.; Malladi, S.; Gerber, T.; Brecht, B.V.; Betz, R.
In the title compound, C 24H 15Cl 2N 3O 3, the C=C double bond is E configured. The 1-phenyl-1H-pyrazole moiety is roughly planar (r.m.s. deviation of all fitted non-H atoms = 0.0780 Å), but the mean planes of the two components are inclined at an angle of 9.95 (7)°. The mean plane defined by the non-H atoms of the 1H-pyrazole ring encloses angles of 9.95 (7), 24.54 (6) and 43.02 (6)° with the mean planes of the different benzene rings. In the crystal, C - H?O contacts are present and result in the formation of a double-layer two-dimensional network lying parallel to (110). The shortest inter-centroid distance between two aromatic systems is 3.5455 (7) Å and is apparent between two pyrazole systems. Further ?-? interactions are manifest between a pair of 4-nitrophenyl rings [centroid-to-centroid distance = 3.6443 (7) Å] and a pair of 2,4-dichlorophenyl rings [centroid-to-centroid distance = 3.7797 (7) Å].
(2E)-2-(4-Fluorobenzylidene)hydrazinecarboxamide
(2011) Fun, H.-K.; Chia, T.S.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.
In the title compound, C8H8FN3O, the semicarbazide group is close to being planar, with a maximum deviation of 0.020 (1) , and subtends a dihedral angle of 16.63 (9) with its attached fluorobenzene ring. In the crystal, molecules are linked by N - H?O hydrogen bonds, forming layers lying parallel to the bc plane. Fun et al. 2011.
(2E)-2-(4-Fluorobenzylidene)hydrazinecarboxamide
(2011) Fun, H.-K.; Chia, T.S.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.
In the title compound, C8H8FN3O, the semicarbazide group is close to being planar, with a maximum deviation of 0.020 (1) Å, and subtends a dihedral angle of 16.63 (9)° with its attached fluorobenzene ring. In the crystal, molecules are linked by N - H?O hydrogen bonds, forming layers lying parallel to the bc plane. © Fun et al. 2011.
(2E)-3-(1,3-Diphenyl-1H-pyrazol-4-yl)-1-phenyl-prop-2-en-1-one
(2011) Fun, H.-K.; Hemamalini, M.; Malladi, S.; Poojari, P.; Isloor, A.M.
In the title compound, C 24H 18N 2O, the pyrazole ring is essentially planar [maximum deviation = 0.004 (1) ] and makes dihedral angles of 18.07 (4), 48.60 (4) and 9.13 (5) with the phenyl rings. In the crystal, adjacent mol-ecules are connected via inter-molecular C - H?O hydrogen bonds, forming dimers. Furthermore, the crystal structure is stabilized by weak C - H?? and ?-? inter-actions, with centroid-centroid distances of 3.6808 (5) . Fun et al. 2011.
(2E)-3-(1,3-Diphenyl-1H-pyrazol-4-yl)-1-phenyl-prop-2-en-1-one
(2011) Fun, H.-K.; Hemamalini, M.; Malladi, S.; Poojari, P.; Isloor, A.M.
In the title compound, C 24H 18N 2O, the pyrazole ring is essentially planar [maximum deviation = 0.004 (1) Å] and makes dihedral angles of 18.07 (4), 48.60 (4) and 9.13 (5)° with the phenyl rings. In the crystal, adjacent mol-ecules are connected via inter-molecular C - H?O hydrogen bonds, forming dimers. Furthermore, the crystal structure is stabilized by weak C - H?? and ?-? inter-actions, with centroid-centroid distances of 3.6808 (5) Å. © Fun et al. 2011.
3-(4-Chloro-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
(2011) Fun, H.-K.; Arshad, S.; Malladi, S.; Selvam, R.; Isloor, A.M.
In the title compound, C 16H 11ClN 2O, the chloro-substituted phenyl ring is disordered over two positions with refined site occupancies of 0.503 (2) and 0.497 (2). The dihedral angle between the pyrazole and phenyl rings is 7.93 (7) . The pyrazole ring also forms dihedral angles of 24.43 (9) and 28.67 (9) with the disordered chloro-substituted benzene ring. In the crystal, mol-ecules are linked by inter-molecular C - H?O hydrogen bonds, generating R 2 1(7) and R 2 2(10) ring motifs. ?-? inter-actions between the pyrazole and phenyl rings [centroid-centroid distance = 3.758 (1) ] further stabilize the crystal structure. Fun et al. 2011.
3-(4-Chloro-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
(2011) Fun, H.-K.; Arshad, S.; Malladi, S.; Selvam, R.; Isloor, A.M.
In the title compound, C 16H 11ClN 2O, the chloro-substituted phenyl ring is disordered over two positions with refined site occupancies of 0.503 (2) and 0.497 (2). The dihedral angle between the pyrazole and phenyl rings is 7.93 (7)°. The pyrazole ring also forms dihedral angles of 24.43 (9)° and 28.67 (9)° with the disordered chloro-substituted benzene ring. In the crystal, mol-ecules are linked by inter-molecular C - H?O hydrogen bonds, generating R 2 1(7) and R 2 2(10) ring motifs. ?-? inter-actions between the pyrazole and phenyl rings [centroid-centroid distance = 3.758 (1) Å] further stabilize the crystal structure. © Fun et al. 2011.
3-Ethyl-6-[3-(4-fluoro-phen-yl)-1H-pyrazol-4-yl]-1,2,4-triazolo[3,4-b][1,3, 4]thia-diazole
(2010) Fun, H.-K.; Quah, C.K.; Malladi, S.; Isloor, A.M.
In the title compound, C14H11FN6S, the 1,2,4-triazolo[3,4-b][1,3,4]thia-diazole ring system is essentially planar [maximum deviation = 0.022 (3) ] and is inclined at dihedral angles of 15.00 (18) and 52.82 (16) with respect to the pyrazole and phenyl rings. In the crystal, mol-ecules are linked into two-dimensional networks parallel to (100) via inter-molecular N - H?N and weak C - H?N hydrogen bonds. The crystal packing is further consolidated by weak ?-? stacking inter-actions, with a centroid-centroid distance of 3.590 (2) . The crystal studied was an inversion twin with a 0.37 (13):0.63 (13) domain ratio.
3-Ethyl-6-[3-(4-fluoro-phen-yl)-1H-pyrazol-4-yl]-1,2,4-triazolo[3,4-b][1,3, 4]thia-diazole
(2010) Fun, H.-K.; Ching Kheng, C.K.; Malladi, S.; Isloor, A.M.
In the title compound, C14H11FN6S, the 1,2,4-triazolo[3,4-b][1,3,4]thia-diazole ring system is essentially planar [maximum deviation = 0.022 (3) Å] and is inclined at dihedral angles of 15.00 (18) and 52.82 (16)° with respect to the pyrazole and phenyl rings. In the crystal, mol-ecules are linked into two-dimensional networks parallel to (100) via inter-molecular N - H?N and weak C - H?N hydrogen bonds. The crystal packing is further consolidated by weak ?-? stacking inter-actions, with a centroid-centroid distance of 3.590 (2) Å. The crystal studied was an inversion twin with a 0.37 (13):0.63 (13) domain ratio.
4-(1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-yl)-1,3-diphenyl-1H-pyrazole
(2011) Fun, H.-K.; Chia, T.S.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.
The title compound, C30H24N4, contains two pyrazole rings and four phenyl rings. The pyrazole rings are essentially planar, with maximum deviations of 0.003 (1) and 0.066 (1) and make a dihedral angle of 73.43 (6) . The two pyrazole rings make dihedral angles of 40.08 (6), 9.28 (6), 15.78 (8) and 17.25 (7) with their attached phenyl rings. In the crystal, there are no significant intermolecular hydrogen-bonding inter-actions. The crystal structure is stabilized by C - H?? interactions. Fun et al. 2011.
4-(1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-yl)-1,3-diphenyl-1H-pyrazole
(2011) Fun, H.-K.; Chia, T.S.; Malladi, S.; Isloor, A.M.; Shivananda, K.N.
The title compound, C30H24N4, contains two pyrazole rings and four phenyl rings. The pyrazole rings are essentially planar, with maximum deviations of 0.003 (1) and 0.066 (1) Å and make a dihedral angle of 73.43 (6)°. The two pyrazole rings make dihedral angles of 40.08 (6), 9.28 (6), 15.78 (8) and 17.25 (7)° with their attached phenyl rings. In the crystal, there are no significant intermolecular hydrogen-bonding inter-actions. The crystal structure is stabilized by C - H?? interactions. © Fun et al. 2011.