Crystallography Open Database

Information card for entry 2008179

2008178 << 2008179 >> 2008180

Preview

Coordinates	2008179.cif
Original IUCr paper	HTML

Structure parameters

Formula	C23 H24 N4 O3
Calculated formula	C23 H24 N4 O3
SMILES	O=C1Nc2c(N3[C@]4(N(N=C3C(=O)OCC)c3ccc(cc3)C)[C@@H]1CCC4)cccc2.O=C1Nc2c(N3[C@@]4(N(N=C3C(=O)OCC)c3ccc(cc3)C)[C@H]1CCC4)cccc2
Title of publication	Ethyl 7-oxo-3-(4-tolyl)-4,5,6,6a,7,8-hexahydro-3<i>H</i>-cyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepine-1-carboxylate and ethyl 3-(4-chlorophenyl)-8-methyl-7-oxo-4,5,6,6a,7,8-hexahydro-3<i>H</i>-cyclopenta[<i>b</i>][1,2,4]triazolo[4,3-<i>a</i>][1,5]benzodiazepine-1-carboxylate
Authors of publication	Aatif, A.; Baouid, A.; Hasnaoui, A.; Benharref, A.; Alilou, E. H.; Pierrot, M.
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	2
Pages of publication	IUC9900010
a	9.557 ± 0.001 Å
b	16.14 ± 0.001 Å
c	13.688 ± 0.001 Å
α	90 ± 0.001°
β	100.978 ± 0.001°
γ	90 ± 0.001°
Cell volume	2072.7 ± 0.3 Å³
Cell temperature	298 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.087
Goodness-of-fit parameter for significantly intense reflections	1.506
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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