Crystal structure of 3-(5-methyl-3-phenyl-1H-pyrazol-1-yl)-propanamide hydrate, C13H15N3O · H2O
نویسندگان
چکیده
منابع مشابه
3-(5-Methyl-3-phenyl-1H-pyrazol-1-yl)propanamide monohydrate
In the title compound, C(13)H(15)N(3)O·H(2)O, the dihedral angle between the pyrazole and benzene rings is 26.6 (2)° and the N-C-C-C torsion angle is 153.6 (3)°. In the crystal, adjacent mol-ecules are linked by N-H⋯N, N-H⋯O and O-H⋯O hydrogen bonds into a network structure running along the a axis.
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With respect to the planar five-membered ring of the title compound, C(16)H(15)N(3)O(2)S, the phenyl ring is aligned at 47.0 (1)° and the phenyl-ene ring at 37.6 (1)°. The amino group has the N atom in a pyramidal geometry; the group is a hydrogen-bond donor to the sulfonyl O atom of one mol-ecule and to the pyrazole N atom of another mol-ecule, resulting in the formation of a layer parallel to...
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In the title compound, C12H12N6S, the dihedral angles between the central pyrazole ring and the pendant triazole and benzene rings are 68.01 (4) and 59.83 (9)°, respectively. In the crystal, mol-ecules are linked by N-H⋯N and N-H⋯S hydrogen bonds, generating (10-1) sheets.
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The first crystal structure of a second-generation tris-(pyrazol-yl)methane, namely the title compound, C(31)H(28)N(6), is reported. The mol-ecule exhibits a helical conformation with an average twist of 35.1°. In addition, there are C-H⋯π inter-actions of 3.202 (2) Å between the pyrazole C-H group and neighbouring phenyl groups.
متن کاملCrystal structure of 4-[(2,4-dichlorophenyl)(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
In the title compound C27H22Cl2N4O2, the pyrazol-5-ol ring makes a dihedral angle of 34.80 (11)° with the phenyl ring to which it is bound, while the pyrazolone ring is inclined at 34.34 (12)° to its attached phenyl ring. In the crystal, N-H⋯O and C-H⋯Cl hydrogen bonds link the mol-ecules into chains along [010]. Inter-molecular π-π inter-actions are observed between the pyrazolone ring and the...
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ژورنال
عنوان ژورنال: Zeitschrift für Kristallographie - New Crystal Structures
سال: 2010
ISSN: 2197-4578,1433-7266
DOI: 10.1524/ncrs.2010.0321