In the title compound, C23H27N3O4, the dihydropyridine ring adopts a 1,4
B conformation. Intramolecular C—H⋯O contacts occur. In the crystal, N—H⋯O and N—H⋯N hydrogen bonds and C—H⋯N contacts connect the molecules into strands along the a-axis direction.
doi:10.1107/S1600536812044649
PMCID: PMC3588819
PMID: 23468784
In the title compound, C20H21N3O2·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.
doi:10.1107/S1600536812042614
PMCID: PMC3515252
PMID: 23284472
In the title compound, C22H24ClN3O4, intramolecular C—H⋯O and C—H⋯N hydrogen bonds form S(9) and S(7) ring motifs, respectively. The 1,4-dihydropyridine ring adopts a flattened boat conformation. The benzene ring makes a dihedral angle of 33.36 (6)° with the pyrazole ring. In the crystal, pairs of N—H⋯N hydrogen bonds link the molecules into inversion dimers. The dimers are stacked in column along the a axis through N—H⋯O and C—H⋯N hydrogen bonds. The crystal packing also features C—H⋯π interactions involving the pyrazole ring.
doi:10.1107/S160053681201344X
PMCID: PMC3344438
PMID: 22590200
In the title compound, C37H30N4O·C4H8O2, the dihedral angle between the pyrazole and dihydropyrazole rings is 74.09 (10)°. In the crystal, the components are linked into centrosymmetric tetramers (two main molecules and two solvent molecules) by C—H⋯O hydrogen bonds. C—H⋯π and π–π [shortest centroid-centroid separation = 3.6546 (9) Å] interactions are also observed.
doi:10.1107/S1600536812009117
PMCID: PMC3343947
PMID: 22590028
In the title compound, C20H21N3O4, the 1,4-dihydropyridine ring adopts a boat conformation. An intramolecular C—H⋯O hydrogen bond generates an S(6) ring motif. The pyrazole ring makes dihedral angles of 87.81 (7) and 45.09 (7)° with the mean plane of the 1,4-dihydropyridine ring and the phenyl ring, respectively. In the crystal, molecules are linked by N—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds into a three-dimensional network.
doi:10.1107/S1600536812008306
PMCID: PMC3343908
PMID: 22589989
In the title compound, C22H25N3O4, the dihydropyridine ring adopts a flattened boat conformation. The pyrazole ring makes a dihedral angle of 29.04 (5)° with the benzene ring. The molecular structure is stabilized by an intramolecular C—H⋯O hydrogen bond which generates an S(9) ring motif. In the crystal, molecules are linked via N—H⋯O and C—H⋯N hydrogen bonds into a two-dimensional network parallel to the ab plane. The crystal structure is further consolidated by weak C—H⋯π interactions.
doi:10.1107/S1600536812008173
PMCID: PMC3297939
PMID: 22412742
In the title compound, C24H15Cl2N3O3, 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 intercentroid distance between two aromatic systems is 3.5455 (7) Å and is apparent between two pyrazole systems. Further π–π 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].
doi:10.1107/S1600536812003960
PMCID: PMC3295416
PMID: 22412527
Two molecules make up the asymmetric unit of the title compound, C12H18N4O2, 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⋯π interactions are also observed.
doi:10.1107/S1600536812000311
PMCID: PMC3275058
PMID: 22347003
In the title hydrate, C23H16N4O2·H2O, the pyrazole ring is approximately planar, with a maximum deviation of 0.023 (1) Å, and makes dihedral angles of 28.63 (6) and 46.44 (7)° with the naphtho[2,1-b]furan ring system and the benzene ring, respectively, In the crystal, O—H⋯N, O—H⋯O, N—H⋯O, N—H⋯N, C—H⋯O and C—H⋯N hydrogen bonds link the molecules, forming sheets lying parallel to the ab plane. The crystal structure also features C—H⋯π interactions involving the centroids of the pyrazole and benzene rings.
doi:10.1107/S1600536811050239
PMCID: PMC3239098
PMID: 22199946
In the title molecule, C24H16Cl2N2O, the dihedral angles between the pyrazole ring and its N- and C-bonded phenyl rings are 7.06 (10) and 53.15 (10)°, respectively. The dihedral angle between the two pendant rings is 52.32 (10)°. The molecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, inversion dimers occur in which each molecule is linked to the other by two C—H⋯O hydrogen bonds to the same acceptor O atom. There are also short Cl⋯Cl contacts [3.3492 (9) Å] and C—H⋯π interactions.
doi:10.1107/S1600536811044382
PMCID: PMC3247488
PMID: 22220106
In the title molecule, C24H15BrCl2N2O, the dihedral angles betwen the pyrazole ring and its N-bonded phenyl (A) and C-bonded bromobenzene (B) rings are 10.34 (16) and 40.95 (15)°, respectively. The dihedral angle between rings A and B is 56.89 (17)°. The title molecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, molecules are linked into inversion dimers by pairs of C—H⋯O hydrogen bonds, generating R
2
2(14) loops. The crystal structure is further consolidated by C—H⋯π interactions.
doi:10.1107/S1600536811044424
PMCID: PMC3247489
PMID: 22220107
In the title molecule, C25H18Cl2N2O2, the dihedral angles between the pyrazole ring and its N- and C-bonded benzene rings are 8.28 (11) and 40.89 (10)°, respectively. The dihedral angle between the benzene rings is 39.03 (11)°. The title molecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, molecules are linked into inversion dimers by pairs of intermolecular C—H⋯O hydrogen bonds, generating R
2
2(14) loops.
doi:10.1107/S1600536811044400
PMCID: PMC3247490
PMID: 22220108
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.
doi:10.1107/S1600536811040797
PMCID: PMC3247616
PMID: 22219921
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 interactions. The crystal structure is stabilized by C—H⋯π interactions.
doi:10.1107/S1600536811039869
PMCID: PMC3247563
PMID: 22219868
In the title compound, C12H10N6S, a weak intramolecular C—H⋯S hydrogen bond stabilizes the molecular conformation. The pyrazole and triazole rings form a dihedral angle of 17.82 (8)°. The molecule adopts an E configuration with respect to the central C=N double bond. In the crystal, intermolecular N—H⋯N and N—H⋯S hydrogen bonds link molecules into chains propagating in [20].
doi:10.1107/S1600536811024834
PMCID: PMC3212330
PMID: 22090987
In the title compound, C16H11ClN2O, 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, molecules are linked by intermolecular C—H⋯O hydrogen bonds, generating R
2
1(7) and R
2
2(10) ring motifs. π–π interactions between the pyrazole and phenyl rings [centroid–centroid distance = 3.758 (1) Å] further stabilize the crystal structure.
doi:10.1107/S1600536811023713
PMCID: PMC3151838
PMID: 21837157
The asymmetric unit of the title compound, C9H11N3O3, consists of two crystallographically independent molecules. Both molecules are almost planar, with r.m.s. deviations of 0.107 and 0.099 Å. In the crystal, the two independent molecules form a dimer with an R
2
2(8) ring motif via N—H⋯O hydrogen bonds. The dimers are further linked into a three-dimensional network by O—H⋯O and N—H⋯O hydrogen bonds.
doi:10.1107/S1600536811024068
PMCID: PMC3151979
PMID: 21837159
In the title compound, C24H18N2O, 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 molecules are connected via intermolecular C—H⋯O hydrogen bonds, forming dimers. Furthermore, the crystal structure is stabilized by weak C—H⋯π and π–π interactions, with centroid–centroid distances of 3.6808 (5) Å.
doi:10.1107/S1600536811023282
PMCID: PMC3151840
PMID: 21837132
In the title compound, C23H27N3O5, the pyrazole ring is inclined at dihedral angles of 38.16 (6) and 80.80 (6)°, respectively, to the least-squares planes of the benzene and dihydropyridine rings. In the crystal, adjacent molecules are linked via a pair of N—H⋯N hydrogen bonds, forming an inversion dimer. The dimers are stacked in a column along the a axis through N—H⋯O hydrogen bonds. Intra- and intermolecular C—H⋯N and C—H⋯O hydrogen bonds are also observed.
doi:10.1107/S1600536811017600
PMCID: PMC3120286
PMID: 21754799
In the title compound, C9H12N2O2, 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).
doi:10.1107/S1600536810051937
PMCID: PMC3050200
PMID: 21522672
In the title compound, C14H11FN6S, the 1,2,4-triazolo[3,4-b][1,3,4]thiadiazole 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, molecules are linked into two-dimensional networks parallel to (100) via intermolecular N—H⋯N and weak C—H⋯N hydrogen bonds. The crystal packing is further consolidated by weak π–π stacking interactions, 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.
doi:10.1107/S1600536810040067
PMCID: PMC3009212
PMID: 21588995
In the title compound, C13H12N4OS, the dihedral angle between the triazole and naphthalene ring systems is 67.42 (5)°. In the crystal, adjacent molecules are linked via two pairs of intermolecular N—H⋯S interactions, forming R
2
2(8) and R
2
2(10) ring motifs. Weak C—H⋯S interactions generate infinite chains along [001] and the structure is further consolidated by C–H⋯π bonds and aromatic π⋯π stacking interactions [distance between the centroids of the triazole rings = 3.2479 (7) Å].
doi:10.1107/S1600536809051368
PMCID: PMC2980099
PMID: 21580136
In the title molecule, C9H13N3O, 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 intermolecular 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⋯π interaction.
doi:10.1107/S1600536809033169
PMCID: PMC2969944
PMID: 21577633
The molecule of the title compound, C10H13N5OS, is approximately planar, the dihedral angle between the triazole and benzene rings being 4.53 (10)°. The amino group adopts a pyramidal configuration. In the crystal structure, molecules are linked into two-dimensional networks parallel to (001) by intermolecular N—H⋯S and N—H⋯N hydrogen bonds. In addition, an S⋯S short contact of 3.3435 (7) Å is observed.
doi:10.1107/S1600536809032607
PMCID: PMC2969966
PMID: 21577614
In the title compound, C9H11N3O, the benzene ring is disordered over two positions with refined occupancies of 0.922 (5) and 0.078 (5). The program PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155] recommends the solution in the space group C2/m with a = 7.3050 (3), b = 6.6745 (2), c = 18.3853 (6) Å and β = 96.986 (2)°. However, the large number of non-extinct reflections needed to be ignored if C2/m is chosen suggested that the space group is incorrect, even though the R values are lower than that for P21/c. The semicarbazone group is essentially planar, with a maximum deviation of 0.046 (1) Å for one of the N atoms. The mean plane of the semicarbazone group forms dihedral angles of 33.61 (8) and 39.1 (9)° with the benzene ring of the major and minor components, respectively. In the crystal structure, molecules are linked by intermolecular N—H⋯O hydrogen bonds into extended chains along the c axis. The crystal structure is further stabilized by weak intermolucular C—H⋯π interactions.
doi:10.1107/S1600536809025847
PMCID: PMC2977181
PMID: 21583511