Low-temperature crystal structure of 4-chloro-1<i>H</i>-pyrazole
نویسندگان
چکیده
The structure of 4-chloro-1 H -pyrazole, C 3 ClN 2 , at 170 K has orthorhombic ( Pnma ) symmetry and is isostructural to its bromo analogue. Data were collected low temperature since -pyrazole sublimes when subjected the localized heat produced by X-rays. displays intermolecular N—H...N hydrogen bonding packing features a trimeric molecular assembly bisected mirror plane m normal b running through one chlorine atom, carbon atom N—N bond. asymmetric unit therefore consists one-half molecules. Thus, N—H proton crystallographically disordered over two positions 50% occupancy each.
منابع مشابه
Crystal structure of 4-chloro-2-iodoaniline
In the crystal structure of the title compound, C6H5ClIN, the amino group engages in N-H⋯N hydrogen bonding, creating [100] chains. A Cl⋯I contact is observed [3.7850 (16) Å]. The parallel planes of neigbouring mol-ecules reveal highly offset π-stacking characterized by a centroid-centroid distance of 4.154 (1), a centroid-to-plane distance of 3.553 (3) and ring-offset slippage of 2.151 (6) Å.
متن کاملCrystal Structure of Schiff base Compound 2-[(2-chloro-4-nitrophenyl) iminomethyl] phenol
Single crystals of Schiff base compound 2-[(2-chloro-4-nitrophenyl) iminomethyl] phenol (1) were grown by the slow evaporation technique at room temperature. The crystal structure of the title compound was determined by single crystal X-ray diffraction. The title compound crystallizes in the monoclinic system, space group P21, with two symmetry independent molecules. Intramolecular O-H···N hydr...
متن کاملCrystal structure of 2-(4-chloro-3-fluorophenyl)-1H-benzimidazole
In the title compound, C13H8ClFN2, the dihedral angle between the plane of the benzimidazole ring system (r.m.s. deviation = 0.022 Å) and the benzene ring is 26.90 (8)°. The F atom at the meta position of the benzene ring is disordered over two sites in a 0.843 (4):0.157 (4) ratio. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds, forming infinite C(4) chains propagating along [010...
متن کامل5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
In the title compound, C(6)H(7)ClN(2)O, the mol-ecules are situated on mirror planes, so H atoms of two methyl groups were treated as rotationally disordered over two orientations each. The crystal packing exhibits weak inter-molecular C-H⋯O inter-actions and short Cl⋯N contacts of 3.046 (2) Å.
متن کاملCrystal structure of 4-chloro-N-{[1-(4-chlorobenzoyl)piperidin-4-yl]methyl}benzamide monohydrate
In the title compound, C20H20Cl2N2O2·H2O, the piperidine ring adopts a chair conformation with the two substituent benzene rings inclined to one another [dihedral angle 84.63 (9)°]. In the crystal, the components are linked by Ow-H⋯O, N-H⋯Ow (w = water) and C-H⋯O hydrogen bonds, generating a sheet structure lying parallel to (101).
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section E: Crystallographic Communications
سال: 2021
ISSN: ['2056-9890']
DOI: https://doi.org/10.1107/s2056989021008604