Z. Kristallogr. NCS 2016; 231(4): 1117–1119
Open Access
Mostafa M. Ghorab, Mansour S. Alsaid, Hazem A. Ghabbour*, Abdullah A. Al-Mishari
and Obaid S. AlRuqi
Crystal structure of 4-((4,4-dimethyl-2,
6-dioxocyclohexylidine)methylamino)-N-(3,4-
dimethylisoxazol-5-yl)benzenesulfonamide,
C
20
H
23
N
3
O
5
S
DOI 10.1515/ncrs-2016-0082
Received March 16, 2016; accepted June 29, 2016; available
online July 18, 2016
Abstract
C
20
H
23
N
3
O
5
S, monoclinic, P2
1
/c (no. 14), a = 6.7503(2) Å,
b = 14.0026(7) Å, c = 21.954(1) Å, β = 96.892(3)°, V =
*Corresponding author: Hazem A. Ghabbour, Department
of Pharmaceutical Chemistry, Faculty of Pharmacy, King
Saud University, P. O. Box 2457, Riyadh 11451, Saudi Arabia,
e-mail: ghabbourh@yahoo.com; and Department of Medicinal
Chemistry, Faculty of Pharmacy, University of Mansoura,
Mansoura 35516, Egypt
Mostafa M. Ghorab: Department of Pharmacognosy, College of
Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451,
Kingdom of Saudi Arabia; and Department of Drug Radiation
Research, National Center for Radiation Research and Technology,
Atomic Energy Authority, P.O. Box 29, Nasr City, Cairo, Egypt
Mansour S. Alsaid: Department of Pharmacognosy, College of
Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451,
Kingdom of Saudi Arabia
Abdullah A. Al-Mishari: Medicinal, Aromatic and Poisonous Plants
Research Center (MAPPRC), College of Pharmacy, King Saud
University, P.O. Box 2457, Riyadh 11451, Saudi Arabia
Obaid S. AlRuqi: Department of Pharmaceutical Chemistry, Faculty
of Pharmacy, King Saud University, P. O. Box 2457, Riyadh 11451,
Saudi Arabia
2060.14(15) Å
3
, Z = 4, R
gt
(F) = 0.0545, wR
ref
(F
2
) = 0.1192,
T = 100 K.
CCDC no.: 1468116
The asymmetric unit of the title crystal structure is shown in
the gure. Tables 1 and 2 contain details of the measurement
method and a list of the atoms including atomic coordinates
and displacement parameters.
Table 1: Data collection and handling.
Crystal: Colourless blocks
Size . × . × . mm
Wavelength: Mo Kα radiation (. Å)
μ: . cm
-
Diractometer, scan mode: Bruker APEX-II, φ and ω
θ
max
, completeness: °, >%
N(hkl)
measured
, N(hkl)
unique
, R
int
: , , .
Criterion for I
obs
, N(hkl)
gt
: I
obs
> σ(I
obs
),
N(param)
rened
:
Programs: SHELX [], Bruker programs []
Table 2: Fractional atomic coordinates and isotropic or equivalent
isotropic displacement parameters (Å
2
).
Atom x y z U
iso
*/U
eq
S .() .() .() .()
O .() .() .() .()
O -.() .() .() .()
O .() .() .() .()
O .() .() .() .()
O .() .() .() .()
N .() .() .() .()
N .() .() .() .()
N .() .() .() .()
C .() .() .() .()
C .() .() .() .()
HA -. . . .*
HB . . . .*
© 2016 Mostafa M. Ghorab et al., published by De Gruyter.
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.