(E)-1-Phenylethanone semicarbazone

被引:2
作者
Fun, Hoong-Kun [1 ]
Yeap, Chin Sing [1 ]
Padaki, Mahesh [2 ]
Malladi, Shridhar [2 ]
Isloor, Arun M. [2 ]
机构
[1] Univ Sains Malaysia, Sch Phys, Xray Crystallog Unit, Usm 11800, Penang, Malaysia
[2] Natl Inst Technol Karnataka, Dept Chem, Mangalore 575025, India
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2009年 / 65卷
关键词
D O I
10.1107/S1600536809025847
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
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) angstrom and beta = 96.986 (2)degrees. 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 P2(1)/c. The semicarbazone group is essentially planar, with a maximum deviation of 0.046 (1) angstrom for one of the N atoms. The mean plane of the semicarbazone group forms dihedral angles of 33.61 (8) and 39.1 (9)degrees with the benzene ring of the major and minor components, respectively. In the crystal structure, molecules are linked by intermolecular N-H center dot center dot center dot O hydrogen bonds into extended chains along the c axis. The crystal structure is further stabilized by weak intermolucular C-H center dot center dot center dot pi interactions.
引用
收藏
页码:O1807 / U2515
页数:11
相关论文
共 14 条
[1]   PATTERNS IN HYDROGEN BONDING - FUNCTIONALITY AND GRAPH SET ANALYSIS IN CRYSTALS [J].
BERNSTEIN, J ;
DAVIS, RE ;
SHIMONI, L ;
CHANG, NL .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1995, 34 (15) :1555-1573
[2]  
Bruker, 2005, APEX2 SAINT SADABS
[3]   Spectroscopic and biological studies on newly synthesized nickel(II) complexes of semicarbazones and thiosemicarbazones [J].
Chandra, S ;
Gupta, LK .
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2005, 62 (4-5) :1089-1094
[4]   A NITROGEN-GAS-STREAM CRYOSTAT FOR GENERAL X-RAY-DIFFRACTION STUDIES [J].
COSIER, J ;
GLAZER, AM .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1986, 19 (02) :105-107
[5]   (E)-1-(4-Chlorophenyl)ethanone semicarbazone [J].
Fun, Hoong-Kun ;
Quah, Ching Kheng ;
Padaki, Mahesh ;
Malladi, Shridhar ;
Isloor, Arun M. .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2009, 65 :01634-U2949
[6]   (E)-1-(4-Fluorophenyl)ethan-1-one semicarbazone [J].
Fun, Hoong-Kun ;
Yeap, Chin Sing ;
Padaki, Mahesh ;
Malladi, Shridhar ;
Isloor, Arun M. .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2009, 65 :01619-U2816
[7]   (E)-1-(4-Bromophenyl)ethan-1-one semicarbazone [J].
Fun, Hoong-Kun ;
Goh, Jia Hao ;
Padaki, Mahesh ;
Malladi, Shridhar ;
Isloor, Arun M. .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2009, 65 :01591-U2587
[8]  
FURNISS BS, 1978, VOGELS TXB PRACTICAL, P1112
[9]   Polymer supported calix[4]arene-semicarbazone derivative for separation and preconcentration of La(III), Ce(III), Th(IV) and U(VI) [J].
Jain, VK ;
Handa, A ;
Pandya, R ;
Shrivastav, P ;
Agrawal, YK .
REACTIVE & FUNCTIONAL POLYMERS, 2002, 51 (2-3) :101-110
[10]  
PILGRAM KHG, 1978, Patent No. 4108399